Cafestol, Thermo Scientific Chemicals

Product Code	Brand	Quantity
15416859	Thermo Scientific Alfa Aesar J65355.MF	50 mg
15406859	Thermo Scientific Alfa Aesar J65355.MC	100 mg

Description

Natural extract from coffee beans which induces glutathione S-transferase

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 469-83-0
• Molecular Weight (g/mol): 316.44
• InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N
• PubChem CID: 108052
• 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

• Molecular Formula: C20H28O3
• MDL Number: MFCD01075769
• 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
• ChEBI: CHEBI:3291
• SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

Specifications

• CAS: 469-83-0
• Color: White
• Molecular Formula: C20H28O3
• Merck Index: 14,1634
• Solubility Information: Soluble in dichlormethane, DMSO or ethanol
• SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
• Molecular Weight (g/mol): 316.44
• ChEBI: CHEBI:3291
• Physical Form: Powder

• Melting Point: 156°C to 158°C
• Density: 1.23
• MDL Number: MFCD01075769
• 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
• InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N
• 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
• PubChem CID: 108052
• Formula Weight: 316.44
• Chemical Name or Material: Cafestol

Safety and Handling

missing translation for 'rtecsNumber' : PB9185090

missing translation for 'tsca' : No

Recommended Storage : Store at -20°C

RUO – Research Use Only