Pregnanediol
(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: pregnanediol|Pregnandiol|Diol|5beta-Pregnane-3alpha,20alpha-diol|Allopregnanediol|Pregnandiol [JAN]|h_38_pregnanediol|Pregnane-3,20-diol|Pregnanediol (JAN)|Hydroxydione succinate|5b-Pregnane-3a,20a-diol|Diol (TN)|5.alpha.-Pregnanediol|PREGNANEDIOL [MI]|Pregnane-3alpha,20alpha-diol|5ss-Pregnane-3a,20a-diol|PREGNANDIOL [WHO-DD]|5beta-Pregnane-3a,20a-diol|5|A-Pregnane-3|A,20|A-diol|3a,20a-Dihydroxy-5b-pregnane|5-beta-Pregnane-3, 20-diol|EINECS 201-313-7|5beta-Pregnane-3alpha,20S-diol|3alpha,20alpha-Dihydroxy-5beta-pregnane|5-beta-Pregnane-3-alpha,20-alpha-diol|5?-PREGNANE-3?,20?-DIOL|5beta-pregnane-3alpha,20beta-diol|Pregnane-3,20-diol, (3a,5b,20S)-
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27155 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Monoisotopic Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 666752-60-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O |
| InChIKey | YWYQTGBBEZQBGO-BERLURQNSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnanediol (CAS 666752-60-9), with molecular formula C21H36O2 and molecular weight 320.27155 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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