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CAS RN 12542-36-8

H3CCH3HOHOOOHCH3H3CH3CCH3OHOHOOHCH3OHO(?)

CAS RN 12542-36-8

IUPAC Name: 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-8,8'-dicarbaldehyde; acetic acid
Synonyms: (-)-gossypol; acetic acid
Molecular Weight (g/mol): 578.61
Molecular Formula: C32H34O10
InChi Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N
SMILES: CC(O)=O.CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C
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1

Gossypol Acetic Acid, TRC

CAS: 12542-36-8 Molecular Formula: C30 H30 O8 . C2 H4 O2 Molecular Weight (g/mol): 578.61 Synonym: Gossypol acetic acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,(±)-Gossypol Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthyl-8,8'-dialdehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxaldehyde Acetic Acid,1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxaldehyde Acetic Acid,2,2'-Bis[1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthyl] Acetic Acid,2,2'-Bis[8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthyl] Acetic Acid,BL 193 Acetic Acid,Gossypol Acetic Acid,NSC 56817 Acetic Acid,NSC 624336 Acetic Acid,No Fertil Acetic Acid,Pogosin Acetic Acid,Tash 1 Acetic Acid IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde SMILES: CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O.CC(=O)O

CAS 12542-36-8
Molecular Weight (g/mol) 578.61
SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O.CC(=O)O
Synonym Gossypol acetic acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,(±)-Gossypol Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthyl-8,8'-dialdehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl[2,2'-binaphthalene]-8,8'-dicarboxaldehyde Acetic Acid,1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxaldehyde Acetic Acid,1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxaldehyde Acetic Acid,2,2'-Bis[1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthyl] Acetic Acid,2,2'-Bis[8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthyl] Acetic Acid,BL 193 Acetic Acid,Gossypol Acetic Acid,NSC 56817 Acetic Acid,NSC 624336 Acetic Acid,No Fertil Acetic Acid,Pogosin Acetic Acid,Tash 1 Acetic Acid
IUPAC Name acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde
Molecular Formula C30 H30 O8 . C2 H4 O2
2

Gossypol-acetic acid

CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 MDL Number: MFCD00058385 InChI Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonym: gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex PubChem CID: 227456 IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O

PubChem CID 227456
CAS 12542-36-8
Molecular Weight (g/mol) 578.614
MDL Number MFCD00058385
SMILES CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O
Synonym gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex
IUPAC Name acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
InChI Key NIOHNDKHQHVLKA-UHFFFAOYSA-N
Molecular Formula C32H34O10
3

Gossypol (acetic acid), MedChemExpress

MedChemExpress Gossypol acetic acid ((±)-Gossypol-acetic acid) binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 578.61
Color Yellow
Physical Form Solid
Chemical Name or Material Gossypol (acetic acid)
Grade Research
SMILES OC1=C(C2=C(O)C(C(C=O)=C(O)C(O)=C3C(C)C)=C3C=C2C)C(C)=CC4=C(C(C)C)C(O)=C(O)C(C=O)=C41.O=C(O)C
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.12%
CAS 12542-36-8
Solubility Information DMSO : 25 mg/mL (43.21 mM; Need ultrasonic) ∣H2O : < 0.1 mg/mL (insoluble)
Health Hazard 1 H302∣H351
Synonym (±)-Gossypol-acetic acid BL-193 (acetic acid)
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C32H34O10
Formula Weight 578.61