[(3S,8S,9S,10R,13S,14S,17R)-17-[(E,2S)-5,6-dimethyl-3-oxidanylidene-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,17R)-17-[(E,2S)-5,6-dimethyl-3-oxidanylidene-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(E,1S)-1,4,5-trimethyl-2-oxo-hex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,17R)-17-[(E,2S)-5,6-dimethyl-3-oxohept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,17R)-17-[(E,2S)-5,6-dimethyl-3-oxohept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S,17R)-17-[(E,1S)-2-keto-1,4,5-trimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC(=O)C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C

Isomeric SMILES

C[C@@H]([C@H]1CC[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)/C=C(\C)/C(C)C

InChI

InChI=1S/C30H46O3/c1-18(2)19(3)16-28(32)20(4)25-10-11-26-24-9-8-22-17-23(33-21(5)31)12-14-29(22,6)27(24)13-15-30(25,26)7/h8,16,18,20,23-27H,9-15,17H2,1-7H3/b19-16+/t20-,23-,24-,25+,26-,27-,29-,30+/m0/s1