[(8R,9S,10R,13S,14S,16S,17R)-16-bromanyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate

Systemtic Name: [(8R,9S,10R,13S,14S,16S,17R)-16-bromanyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate Openeye Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-16-bromo-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-16-bromo-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-16-bromo-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [(8R,9S,10R,13S,14S,16S,17R)-17-acetyl-16-bromo-3-keto-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H33BrO4 MolecularWeight: 501.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CC2C1(CCC3C2C=CC4=CC(=O)C=CC34C)C)Br)OC(=O)C5CCCC5

Isomeric SMILES

CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)C)Br)OC(=O)C5CCCC5

InChI

InChI=1S/C27H33BrO4/c1-16(29)27(32-24(31)17-6-4-5-7-17)23(28)15-22-20-9-8-18-14-19(30)10-12-25(18,2)21(20)11-13-26(22,27)3/h8-10,12,14,17,20-23H,4-7,11,13,15H2,1-3H3/t20-,21+,22+,23+,25+,26+,27-/m1/s1