[(3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,4S,5S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5S,10S,13R,14S,17R)-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H50O2 MolecularWeight: 454.7275

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3=C(C2(CCC1OC(=O)C)C)CCC4(C3CCC4C(C)CCC(=C)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h19,21-22,25-27,29H,3,9-18H2,1-2,4-8H3/t21-,22+,25-,26+,27-,29+,30-,31+/m1/s1