[(3S,5S,10S,13R,14R,17R)-3,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5S,10S,13R,14R,17R)-3,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-3,10,13,14-tetramethyl-4-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5S,10S,13R,14R,17R)-3,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-4-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,10S,13R,14R,17R)-3,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-4-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5S,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4-keto-3,10,13,14-tetramethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C31H50O3 MolecularWeight: 470.7269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4=O)(C)OC(=O)C)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@H]4[C@@]3(CC[C@](C4=O)(C)OC(=O)C)C)C)C

InChI

InChI=1S/C31H50O3/c1-20(2)10-9-11-21(3)23-14-16-30(7)25-12-13-26-27(33)31(8,34-22(4)32)19-18-28(26,5)24(25)15-17-29(23,30)6/h20-21,23,26H,9-19H2,1-8H3/t21-,23-,26-,28-,29-,30+,31+/m1/s1