AC1L45Q6
(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Cid 151133|Pregnane-3,17,20,21-tetrol|20alpha-Hexahydro-reichstein's compound S|5beta-Pregnane-3alpha,17alpha,20beta,21-tetrol|5beta-Pregnane-3alpha,17alpha,20alpha,21-tetrol|(20S)-5beta-Pregnane-3alpha,17,20,21-tetrol|(3alpha,5beta,20S)-Pregnane-3,17,20,21-tetrol|(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol|Pregnane-3,17,20,21-tetrol, (3alpha,5beta,20S)-
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26135 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.26135 |
| Monoisotopic Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 3615-89-2 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O |
| InChIKey | MQSSTQLJJOVNQF-YAWPOEEYSA-N |
Product Overview
AC1L45Q6 (CAS 3615-89-2), with molecular formula C21H36O4 and molecular weight 352.26135 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.