[(5R,7R,8R,9R,10S,11R,13S,17S)-4,4,8,10,13-pentamethyl-17-[(2S,3S,5R)-5-[(1S)-2-methyl-1,2-bis(oxidanyl)propyl]-2-oxidanyl-oxolan-3-yl]-7-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-methylbutanoate

Systemtic Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-4,4,8,10,13-pentamethyl-17-[(2S,3S,5R)-5-[(1S)-2-methyl-1,2-bis(oxidanyl)propyl]-2-oxidanyl-oxolan-3-yl]-7-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-methylbutanoate Openeye Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methyl-propyl]-2-hydroxy-tetrahydrofuran-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxy-3-oxolanyl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] ester IUPAC Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methyl-propyl]-2-hydroxy-tetrahydrofuran-3-yl]-7-hydroxy-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] ester Formula: C35H54O8 MolecularWeight: 602.79846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC2(C(CC=C2C3(C1C4(C=CC(=O)C(C4CC3O)(C)C)C)C)C5CC(OC5O)C(C(C)(C)O)O)C

Isomeric SMILES

CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](CC=C2[C@]3([C@H]1[C@]4(C=CC(=O)C([C@@H]4C[C@H]3O)(C)C)C)C)[C@@H]5C[C@@H](O[C@@H]5O)[C@@H](C(C)(C)O)O)C

InChI

InChI=1S/C35H54O8/c1-10-18(2)29(39)43-22-17-34(8)20(19-15-21(42-30(19)40)28(38)32(5,6)41)11-12-23(34)35(9)26(37)16-24-31(3,4)25(36)13-14-33(24,7)27(22)35/h12-14,18-22,24,26-28,30,37-38,40-41H,10-11,15-17H2,1-9H3/t18?,19-,20-,21+,22+,24-,26+,27+,28-,30-,33-,34-,35+/m0/s1