[(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetyloxy-17-[(2R,3R)-3-acetyloxy-6-methyl-2,6-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-6-oxidanylidene-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetyloxy-17-[(2R,3R)-3-acetyloxy-6-methyl-2,6-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-6-oxidanylidene-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetoxy-17-[(1R,2R)-2-acetoxy-1,5-dihydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetyloxy-17-[(2R,3R)-3-acetyloxy-2,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetyloxy-17-[(2R,3R)-3-acetyloxy-2,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(2S,3R,5S,9R,10R,13S,14S,17S)-2-acetoxy-17-[(1R,2R)-2-acetoxy-1,5-dihydroxy-1,5-dimethyl-hexyl]-6-keto-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C33H50O9 MolecularWeight: 590.7447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C(=O)C=C3C4CCC(C4(CCC3C2(CC1OC(=O)C)C)C)C(C)(C(CCC(C)(C)O)OC(=O)C)O

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2C(=O)C=C3[C@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C[C@@H]1OC(=O)C)C)C)[C@](C)([C@@H](CCC(C)(C)O)OC(=O)C)O

InChI

InChI=1S/C33H50O9/c1-18(34)40-26-16-24-25(37)15-21-22-9-10-28(33(8,39)29(42-20(3)36)12-13-30(4,5)38)31(22,6)14-11-23(21)32(24,7)17-27(26)41-19(2)35/h15,22-24,26-29,38-39H,9-14,16-17H2,1-8H3/t22-,23+,24-,26-,27+,28+,29-,31+,32-,33-/m1/s1