[(E,2S,3R)-6-methyl-6-oxidanyl-2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] ethanoate

Systemtic Name: [(E,2S,3R)-6-methyl-6-oxidanyl-2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] ethanoate Openeye Name: [(E,1R)-4-hydroxy-4-methyl-1-[(1S)-1-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]pent-2-enyl] acetate CAS Name: acetic acid [(E,2S,3R)-6-hydroxy-6-methyl-2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-6-hydroxy-6-methyl-2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-4-en-3-yl] acetate Traditional Name: acetic acid [(E,1R)-4-hydroxy-1-[(1S)-1-[(10S,13R,14R,17R)-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-pent-2-enyl] ester Formula: C32H50O4 MolecularWeight: 498.737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)[C@@H](/C=C/C(C)(C)O)OC(=O)C

InChI

InChI=1S/C32H50O4/c1-20(25(36-21(2)33)14-16-28(3,4)35)22-12-18-32(9)24-10-11-26-29(5,6)27(34)15-17-30(26,7)23(24)13-19-31(22,32)8/h14,16,20,22,25-26,35H,10-13,15,17-19H2,1-9H3/b16-14+/t20-,22+,25+,26?,30+,31+,32-/m0/s1