[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-[(2S)-6-methyl-3-oxidanylidene-heptan-2-yl]-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)-10,13-dimethyl-17-[(2S)-6-methyl-3-oxidanylidene-heptan-2-yl]-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)-17-[(1S)-1,5-dimethyl-2-oxo-hexyl]-10,13-dimethyl-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)-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-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)-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-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)-17-[(1S)-2-keto-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C(C)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Isomeric SMILES

C[C@@H](C1=CC[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(=O)CCC(C)C

InChI

InChI=1S/C29H44O3/c1-18(2)7-12-27(31)19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h8,10,18-19,22-23,25-26H,7,9,11-17H2,1-6H3/t19-,22-,23-,25-,26-,28-,29+/m0/s1