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| Related CAS: | 12542-36-8 (acetic acid) 303-45-7 (free) |
| IUPAC Name: | 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 |
| Description: | Gossypol is an orally-active polyphenolic aldehyde with potential antineoplastic activity. Derived primarily from unrefined cottonseed oil, gossypol induces cell cycle arrest at the G0/G1 phase, thereby inhibiting DNA replication and inducing apoptosis. This agent also inhibits cell-signaling enzymes, resulting in inhibition of cell growth, and may act as a male contraceptive. |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C30H30O8 |
| Canonical 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 |
| InChI: | InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 |
| InChI Key: | QBKSWRVVCFFDOT-UHFFFAOYSA-N |
| Boiling Point: | 707.888 ℃ at 760 mmHg |
| Melting Point: | 184 °C (from ether); 199 °C (from chloroform); 214 °C (from ligroin) |
| Purity: | > 98 % |
| Density: | 1.403 g/cm3 |
| Solubility: | Very soluble in methanol, ethanol, cold dioxane, diethylene glucol, ether, ethyl acetate, acetone, carbon tetrachloride, pyridine, chloroform, DMF, lipds. Freely soluble (with slow desomposition) in dilute aqueous solutions of ammonia and sodium carbonate. Slightly soluble in glycerol, cyclohexane. Insoluble in water. |
| Appearance: | Powder |
| Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
| LogP: | 6.38220 |
| Quality Standard: | CP2010 |
| Vapor Pressure: | 7.06X10-21 mm Hg at 25 °C (est) |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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