Methyl 3,7-dihydroxychol-4-en-24-oate
methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Methyl 3,7-dihydroxychol-4-en-24-oate|Methyl 3alpha,7alpha-dihydroxychol-4-en-24-oate|methyl 3|A,7|A-dihydroxychol-4-en-24-oate|methyl 3 alpha,7 alpha-dihydroxychol-4-en-24-oate|Chol-4-en-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,7alpha)-|methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29266 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.29266 |
| Monoisotopic Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 7696-86-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=C[C@@H](CC[C@]34C)O)O)C |
| InChIKey | LEMNKDYZZKCTCV-DCUNTRSVSA-N |
Product Overview
Methyl 3,7-dihydroxychol-4-en-24-oate (CAS 7696-86-8), with molecular formula C25H40O4 and molecular weight 404.29266 g/mol. IUPAC: methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Methyl 3,7-dihydroxychol-4-en-24-oate is a custom synthesis product. We offer services from milligram to kilogram scale.
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