(8R,9S,10R,13S,14S,17R)-4-bromanyl-17-ethanoyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (8R,9S,10R,13S,14S,17R)-4-bromanyl-17-ethanoyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-4-bromo-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-4-bromo-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-4-bromo-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-4-bromo-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C21H29BrO3 MolecularWeight: 409.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CCC3C2CCC4=C(C(=O)CCC34C)Br)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrO3/c1-12(23)21(25)11-7-15-13-4-5-16-18(22)17(24)8-9-19(16,2)14(13)6-10-20(15,21)3/h13-15,25H,4-11H2,1-3H3/t13-,14+,15+,19-,20+,21+/m1/s1