[2-oxidanylidene-2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-17-oxidanyl-3-oxidanylidene-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate

Systemtic Name: [2-oxidanylidene-2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-17-oxidanyl-3-oxidanylidene-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] ethanoate Openeye Name: [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-11-(p-tolylsulfonyloxy)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-3-keto-10,13,16-trimethyl-11-tosyloxy-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C31H42O8S MolecularWeight: 574.72538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4CC(=O)CCC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)OS(=O)(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)OS(=O)(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21+,24+,25+,26-,28-,29+,30+,31+/m1/s1