(3S,5S,8S,9S,10S,13S,14S,16S,17R)-16-bromanyl-17-ethanoyl-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

Systemtic Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-16-bromanyl-17-ethanoyl-10,13-dimethyl-3,17-bis(oxidanyl)-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Openeye Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one CAS Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one IUPAC Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Traditional Name: (3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-acetyl-16-bromo-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Formula: C21H31BrO4 MolecularWeight: 427.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)Br)O

Isomeric SMILES

CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)Br)O

InChI

InChI=1S/C21H31BrO4/c1-11(23)21(26)17(22)9-15-14-5-4-12-8-13(24)6-7-19(12,2)18(14)16(25)10-20(15,21)3/h12-15,17-18,24,26H,4-10H2,1-3H3/t12-,13-,14-,15-,17-,18+,19-,20-,21+/m0/s1