[(3S,8R,9S,10R,13S,14S,17Z)-10,13-dimethyl-17-(6-methyl-3-oxidanylidene-heptan-2-ylidene)-16-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17Z)-10,13-dimethyl-17-(6-methyl-3-oxidanylidene-heptan-2-ylidene)-16-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,17Z)-17-(1,5-dimethyl-2-oxo-hexylidene)-10,13-dimethyl-16-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17Z)-10,13-dimethyl-17-(6-methyl-3-oxoheptan-2-ylidene)-16-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17Z)-10,13-dimethyl-17-(6-methyl-3-oxoheptan-2-ylidene)-16-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9S,10R,13S,14S,17Z)-16-keto-17-(2-keto-1,5-dimethyl-hexylidene)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C(=C1C(=O)CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C

Isomeric SMILES

CC(C)CCC(=O)/C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)/C

InChI

InChI=1S/C29H42O4/c1-17(2)7-10-25(31)18(3)27-26(32)16-24-22-9-8-20-15-21(33-19(4)30)11-13-28(20,5)23(22)12-14-29(24,27)6/h8,17,21-24H,7,9-16H2,1-6H3/b27-18+/t21-,22+,23-,24-,28-,29-/m0/s1