[(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,4R,5S)-4-acetyloxy-5-ethyl-6-methyl-3-oxidanylidene-heptan-2-yl]-10,13-dimethyl-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,4R,5S)-4-acetyloxy-5-ethyl-6-methyl-3-oxidanylidene-heptan-2-yl]-10,13-dimethyl-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1S,3R,4S)-3-acetoxy-4-ethyl-1,5-dimethyl-2-oxo-hexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,4R,5S)-4-acetyloxy-5-ethyl-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,4R,5S)-4-acetyloxy-5-ethyl-6-methyl-3-oxoheptan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1S,3R,4S)-3-acetoxy-4-ethyl-2-keto-1,5-dimethyl-hexyl]-7-keto-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C33H50O6 MolecularWeight: 542.7465

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)C(C(=O)C(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C33H50O6/c1-9-24(18(2)3)31(39-21(6)35)30(37)19(4)25-10-11-26-29-27(13-15-33(25,26)8)32(7)14-12-23(38-20(5)34)16-22(32)17-28(29)36/h17-19,23-27,29,31H,9-16H2,1-8H3/t19-,23-,24-,25+,26-,27-,29-,31+,32-,33+/m0/s1