(8S,9S,10R,11R,12R,13S,14S,17S)-12-bromanyl-17-ethanoyl-10,13-dimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9S,10R,11R,12R,13S,14S,17S)-12-bromanyl-17-ethanoyl-10,13-dimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,11R,12R,13S,14S,17S)-17-acetyl-12-bromo-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C21H29BrO3 MolecularWeight: 409.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(C(C(C3C2CCC4=CC(=O)CCC34C)O)Br)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H]([C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)Br)C

InChI

InChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1