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

Systemtic Name: [(3S,8R,9R,10R,14R,17S)-17-[(5S)-5,6-dimethylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8R,9R,10R,14R,17S)-17-[(4S)-4,5-dimethyl-1-methylene-hex-5-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8R,9R,10R,14R,17S)-17-[(5S)-5,6-dimethylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9R,10R,14R,17S)-17-[(5S)-5,6-dimethylhepta-1,6-dien-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8R,9R,10R,14R,17S)-17-[(4S)-4,5-dimethyl-1-methylene-hex-5-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C33H54O2 MolecularWeight: 482.78066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=C)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)C(=C)C

Isomeric SMILES

C[C@@H](CCC(=C)[C@H]1CC[C@@]2(C1CC[C@H]3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)C(=C)C

InChI

InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-32(9)26(25)13-14-28-31(8)18-17-29(35-24(5)34)30(6,7)27(31)16-20-33(28,32)10/h22,25-29H,1,4,11-20H2,2-3,5-10H3/t22-,25+,26?,27?,28+,29-,31-,32+,33+/m0/s1