[(3R,8R,9R,10R,12R,14R,17R)-12-acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxidanylidene-oxolan-2-yl]-17-oxidanyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3R,8R,9R,10R,12R,14R,17R)-12-acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxidanylidene-oxolan-2-yl]-17-oxidanyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,8R,9R,10R,12R,14R,17R)-12-acetoxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,8R,9R,10R,12R,14R,17R)-12-acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxo-2-oxolanyl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,8R,9R,10R,12R,14R,17R)-12-acetyloxy-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,8R,9R,10R,12R,14R,17R)-12-acetoxy-17-hydroxy-17-[(2S)-5-keto-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C31H48O7 MolecularWeight: 532.70862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC(C4C3(CCC4(C5(CCC(=O)O5)C)O)C)OC(=O)C)C)C

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2([C@H]3C[C@H](C4[C@]([C@@]3(CCC2C1(C)C)C)(CC[C@@]4([C@@]5(CCC(=O)O5)C)O)C)OC(=O)C)C

InChI

InChI=1S/C31H48O7/c1-18(32)36-20-17-22-27(5)12-10-23(37-19(2)33)26(3,4)21(27)9-13-28(22,6)29(7)15-16-31(35,25(20)29)30(8)14-11-24(34)38-30/h20-23,25,35H,9-17H2,1-8H3/t20-,21?,22-,23-,25?,27+,28-,29-,30+,31-/m1/s1