Desoxycorton glucosid
(8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-oxohexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Desoxycorton glucosid|KST-1A4934|(8s,9s,10r,13s,14s)-10,13-dimethyl-17-{[(1,2,3,6-tetrahydroxy-4-oxohexyl)oxy]acetyl}-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one(non-preferred name)|(8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-oxohexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C27H40O8 |
|---|---|
| Molecular Weight | 492.2723 g/mol |
| LogP | 1.71 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.2723 |
| Heavy Atoms | 35 |
| Complexity | 882.4 |
Chemical Identifiers
| CAS Number | 470-03-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2C(=O)COC(C(C(C(=O)CCO)O)O)O)CCC4=CC(=O)CC[C@]34C |
Product Overview
Desoxycorton glucosid (CAS 470-03-1), with molecular formula C27H40O8 and molecular weight 492.2723 g/mol. IUPAC: (8S,9S,10R,13S,14S)-10,13-dimethyl-17-[2-(1,2,3,6-tetrahydroxy-4-oxohexoxy)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
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