[(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 10-chloranyl-9-oxidanylidene-decanoate

Systemtic Name: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 10-chloranyl-9-oxidanylidene-decanoate Openeye Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxo-decanoate CAS Name: 10-chloro-9-oxodecanoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxodecanoate Traditional Name: 10-chloro-9-keto-capric acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C31H45ClO5 MolecularWeight: 533.139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)CCCCCCCC(=O)CCl

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)CCCCCCCC(=O)CCl

InChI

InChI=1S/C31H45ClO5/c1-21(33)31(37-28(36)10-8-6-4-5-7-9-24(35)20-32)18-15-27-25-12-11-22-19-23(34)13-16-29(22,2)26(25)14-17-30(27,31)3/h19,25-27H,4-18,20H2,1-3H3/t25-,26+,27+,29+,30+,31+/m1/s1