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

Systemtic Name: [(3S,5R,8R,9R,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,8R,9R,10R,14S)-17-[(1S)-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,8R,9R,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,9R,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,8R,9R,10R,14S)-17-[(1S)-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C32H52O2 MolecularWeight: 468.75408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C1=C2CCC3C4(CCC(C(C4CCC3(C2(CC1)C)C)(C)C)OC(=O)C)C

Isomeric SMILES

C[C@@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@@]2(CC1)C)C)(C)C)OC(=O)C)C

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,22,26-28H,10,12-20H2,1-9H3/t22-,26-,27+,28-,30-,31+,32+/m0/s1