Diendiol
(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Diendiol|EINECS 222-489-1|11 beta,21-dihydroxy-4,17(20)-pregnadien-3-one|11-beta,21-Dihydroxypregna-4,17(20)-dien-3-one|4,17(20)-pregnadien-11beta,21-diol-3-one|11-beta,21-dihydroxypregna-4,17 -dien-3-one|3-oxo-11,21-dihydroxypregna-4,17(20)-diene|11beta,21-dihydroxypregna-4,17(20)-dien-3-one|Pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11beta)-|Pregna-4,17(20)-dien-3-one, 11.beta.,21-dihydroxy-|(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|Pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11.beta.)-|(8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylide|(3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyethylidene)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.21948 g/mol |
| LogP | 3.4078 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Monoisotopic Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 618.5734 |
Chemical Identifiers
| CAS Number | 3103-13-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=C/CO)C)O |
Product Overview
Diendiol (CAS 3103-13-7), with molecular formula C21H30O3 and molecular weight 330.21948 g/mol. IUPAC: (8S,9S,10R,11S,13S,14S,17Z)-11-hydroxy-17-(2-hydroxyethylidene)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
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