[(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-15-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-15-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] ester IUPAC Name: [(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(3S,5S,8R,9S,10S,13R,14S,15R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] ester Formula: C35H58O5SSi MolecularWeight: 618.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2CC(C3C2(CCC4C3CCC5C4(CCC(C5)O[Si](C)(C)C(C)(C)C)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)[C@H]2C[C@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[Si](C)(C)C(C)(C)C)C)C)O

InChI

InChI=1S/C35H58O5SSi/c1-23-10-13-27(14-11-23)41(37,38)39-22-24(2)30-21-31(36)32-28-15-12-25-20-26(40-42(8,9)33(3,4)5)16-18-34(25,6)29(28)17-19-35(30,32)7/h10-11,13-14,24-26,28-32,36H,12,15-22H2,1-9H3/t24-,25+,26+,28-,29+,30-,31-,32-,34+,35-/m1/s1