Organooxygen compounds
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Phorbol 12-myristate 13-acetate, 95%
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
D-(+)-Maltose Monohydrate, ≥92% (Dry Basis), Ultrapure
CAS: 6363-53-7 Molecular Formula: C12H22O11·H2O Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H22O11·H2O |
3-(Hydroxymethyl)pyridine, 98%
CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: pyridin-3-ylmethanol SMILES: OCC1=CC=CN=C1
| PubChem CID | 7510 |
|---|---|
| CAS | 100-55-0 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006407 |
| SMILES | OCC1=CC=CN=C1 |
| Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
| IUPAC Name | pyridin-3-ylmethanol |
| InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
5-Thio-D-glucose, 97+%, Thermo Scientific Chemicals
CAS: 20408-97-3 Molecular Formula: C6H12O5S Molecular Weight (g/mol): 196.217 MDL Number: MFCD00006663 InChI Key: IJJLRUSZMLMXCN-SLPGGIOYSA-N Synonym: 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal PubChem CID: 88527 IUPAC Name: (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal SMILES: C(C(C(C(C(C=O)O)O)O)S)O
| PubChem CID | 88527 |
|---|---|
| CAS | 20408-97-3 |
| Molecular Weight (g/mol) | 196.217 |
| MDL Number | MFCD00006663 |
| SMILES | C(C(C(C(C(C=O)O)O)O)S)O |
| Synonym | 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal |
| IUPAC Name | (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal |
| InChI Key | IJJLRUSZMLMXCN-SLPGGIOYSA-N |
| Molecular Formula | C6H12O5S |
1-Amino-3,6,9,12-tetraoxapentadec-14-yne
CAS: 1013921-36-2 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD22380736 InChI Key: QDLPAHLHHBCWOW-UHFFFAOYSA-N Synonym: 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine PubChem CID: 86580391 IUPAC Name: 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine SMILES: C#CCOCCOCCOCCOCCN
| PubChem CID | 86580391 |
|---|---|
| CAS | 1013921-36-2 |
| Molecular Weight (g/mol) | 231.292 |
| MDL Number | MFCD22380736 |
| SMILES | C#CCOCCOCCOCCOCCN |
| Synonym | 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine |
| IUPAC Name | 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine |
| InChI Key | QDLPAHLHHBCWOW-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO4 |
Chlorogenic acid
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
Cafestol
CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonym: cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol PubChem CID: 108052 ChEBI: CHEBI:3291 IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
| PubChem CID | 108052 |
|---|---|
| CAS | 469-83-0 |
| Molecular Weight (g/mol) | 316.44 |
| ChEBI | CHEBI:3291 |
| MDL Number | MFCD01075769 |
| SMILES | C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 |
| Synonym | cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol |
| IUPAC Name | (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol |
| InChI Key | DNJVYWXIDISQRD-HWUKTEKMSA-N |
| Molecular Formula | C20H28O3 |
9-Formyl-8-hydroxyjulolidine, 97%
CAS: 63149-33-7 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00192477 InChI Key: NRZXBDYODHLZBF-UHFFFAOYSA-N Synonym: 8-hydroxy-1,2,3,5,6,7-hexahydropyrido 3,2,1-ij quinoline-9-carbaldehyde,8-hydroxyjulolidine-9-aldehyde,9-formyl-8-hydroxyjulolidine,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo ij quinolizine-9-carboxaldehyde,8-hydroxyjulolidine-9-carboxaldehyde,9-formyl-8-julolidinol,1h,5h-benzo ij quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo i,j quinolizine-9-carboxaldehyde,8-hydroxy-2,3,6,7-tetrahydro-1h,5h-pyrido 3,2,1-ij quinoline-9-carbaldehyde PubChem CID: 113099 SMILES: C1CC2=C3C(=C(C(=C2)C=O)O)CCCN3C1
| PubChem CID | 113099 |
|---|---|
| CAS | 63149-33-7 |
| Molecular Weight (g/mol) | 217.268 |
| MDL Number | MFCD00192477 |
| SMILES | C1CC2=C3C(=C(C(=C2)C=O)O)CCCN3C1 |
| Synonym | 8-hydroxy-1,2,3,5,6,7-hexahydropyrido 3,2,1-ij quinoline-9-carbaldehyde,8-hydroxyjulolidine-9-aldehyde,9-formyl-8-hydroxyjulolidine,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo ij quinolizine-9-carboxaldehyde,8-hydroxyjulolidine-9-carboxaldehyde,9-formyl-8-julolidinol,1h,5h-benzo ij quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo i,j quinolizine-9-carboxaldehyde,8-hydroxy-2,3,6,7-tetrahydro-1h,5h-pyrido 3,2,1-ij quinoline-9-carbaldehyde |
| InChI Key | NRZXBDYODHLZBF-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO2 |