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

Systemtic Name: [(3S,5R,10S,13R,14R,17R)-17-[(2S,3R,4S)-3,4-diacetyloxy-6-methyl-5-methylidene-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,10S,13R,14R,17R)-17-[(1S,2R,3S)-2,3-diacetoxy-1,5-dimethyl-4-methylene-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,10S,13R,14R,17R)-17-[(2S,3R,4S)-3,4-diacetyloxy-6-methyl-5-methyleneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,10S,13R,14R,17R)-17-[(2S,3R,4S)-3,4-diacetyloxy-6-methyl-5-methylideneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,10S,13R,14R,17R)-17-[(1S,2R,3S)-2,3-diacetoxy-4-isopropyl-1-methyl-pent-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C37H58O6 MolecularWeight: 598.85282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)[C@H]([C@H](C(=C)C(C)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H58O6/c1-21(2)22(3)32(42-25(6)39)33(43-26(7)40)23(4)27-15-19-37(12)29-13-14-30-34(8,9)31(41-24(5)38)17-18-35(30,10)28(29)16-20-36(27,37)11/h21,23,27,30-33H,3,13-20H2,1-2,4-12H3/t23-,27+,30-,31-,32-,33+,35+,36+,37-/m0/s1