Bryodulcosigenin
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Also Known As: Bryodulcosigenin|11-Oxomogrol|11-Oxo-Mogrol|11-O-mogrol|NCI60_038830|J1.680.738I|(24R)-11-Oxocucurbit-5-ene-3.beta.,25-triol|(24R)-3beta,24,25-Trihydroxycucurbita-5-ene-11-one|(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one|(3ss,9ss,10a,24R)-3,24,25-Trihydroxy-9-methyl-19-norlanost-5-en-11-one|(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one|(3s,8s,9r,10r,13r,14s,17r)-17-[(1r,4r)-4,5-dihydroxy-1,5-dimethyl-hexyl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one|Bryodulcosigenin; 19-Norlanost-5-en-11-one, 3,24,25-trihydroxy-9-methyl-, (3ss,9ss,10a,24R)- (9CI, ACI); (3ss,9ss,10a,24R)-3,24,25-Trihydroxy-9-methyl-19-norlanost-5-en-11-one (ACI); 11-Oxomogrol; NSC 710352
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.3709 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.3709 |
| Monoisotopic Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 4965-97-3 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | FPMQKXQOBKDVHF-DJHQPCGUSA-N |
Product Overview
Bryodulcosigenin (CAS 4965-97-3), with molecular formula C30H50O4 and molecular weight 474.3709 g/mol. IUPAC: (3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one.