[(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetyloxy-17-[(2S,3R,4R,5S)-3,4-diacetyloxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetyloxy-17-[(2S,3R,4R,5S)-3,4-diacetyloxy-5,6-dimethyl-heptan-2-yl]-10,13-dimethyl-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetoxy-17-[(1S,2R,3R,4S)-2,3-diacetoxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetyloxy-17-[(2S,3R,4R,5S)-3,4-diacetyloxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetyloxy-17-[(2S,3R,4R,5S)-3,4-diacetyloxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5S,8S,9S,10R,13S,14S,17R)-2-acetoxy-17-[(1S,2R,3R,4S)-2,3-diacetoxy-1,4,5-trimethyl-hexyl]-6-keto-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C36H56O9 MolecularWeight: 632.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)OC(=O)C)OC(=O)C)C)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C36H56O9/c1-18(2)19(3)33(44-23(7)39)34(45-24(8)40)20(4)26-11-12-27-25-15-30(41)29-16-31(42-21(5)37)32(43-22(6)38)17-36(29,10)28(25)13-14-35(26,27)9/h18-20,25-29,31-34H,11-17H2,1-10H3/t19-,20-,25-,26+,27-,28-,29+,31-,32+,33+,34+,35+,36+/m0/s1