Acetomepregenol
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Acetomepregenol|Diamol|Mepregenol diacetate|mepregenoldiacetate|Mepregnol diacetate|3beta,17alpha-Diacetoxy-6-methylpregnane-4,6-dien-20-one|Pregna-4,6-dien-20-one, 3,17-bis(acetyloxy)-6-methyl-, (3-beta)-|Pregna-4,6-dien-20-one, 3-beta,17-dihydroxy-6-methyl-, diacetate|6-Methyl-20-oxo-3beta-pregna-4,6-diene-3,17-diyl diacetate|6-methylpregna-4,6-dien-3 beta,17 alpha-diol-20-one diacetate|(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-trimethyl-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate|[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate|6-METHYLPREGNA-4,6-DIEN-3-.BETA., 17-.ALPHA.-DIOL-20-ONE DIACETATE|PREGNA-4,6-DIEN-20-ONE, 3,17-BIS(ACETYLOXY)-6-METHYL-, (3.BETA.)-|(1R,3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-7-(acetyloxy)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.2563 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2563 |
| Monoisotopic Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 3116-07-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)C)C |
| InChIKey | SDHHPVPFUVQWKY-AVHYYFBHSA-N |
Product Overview
Acetomepregenol (CAS 3116-07-2), with molecular formula C26H36O5 and molecular weight 428.2563 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate.