[(3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S)-10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S)-17-(1,5-dimethyl-4-methylene-hexyl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S)-10,13-dimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S)-10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S)-17-(4-isopropyl-1-methyl-pent-4-enyl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H48O2 MolecularWeight: 440.70092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CCC4=CC(CCC34C)OC(=O)C)C

Isomeric SMILES

CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CCC4=C[C@H](CCC34C)OC(=O)C)C

InChI

InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h18-19,21,24-28H,3,8-17H2,1-2,4-7H3/t21?,24-,25?,26?,27?,28?,29?,30?/m0/s1