[(3S,8S,9S,10R,13S,14S,16R,17S)-16-(4-aminophenyl)sulfonyl-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-16-(4-aminophenyl)sulfonyl-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(4-aminophenyl)sulfonyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(4-aminophenyl)sulfonyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(4-aminophenyl)sulfonyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-sulfanilyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C29H39NO5S MolecularWeight: 513.68866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)S(=O)(=O)C5=CC=C(C=C5)N

Isomeric SMILES

CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)S(=O)(=O)C5=CC=C(C=C5)N

InChI

InChI=1S/C29H39NO5S/c1-17(31)27-26(36(33,34)22-8-6-20(30)7-9-22)16-25-23-10-5-19-15-21(35-18(2)32)11-13-28(19,3)24(23)12-14-29(25,27)4/h5-9,21,23-27H,10-16,30H2,1-4H3/t21-,23+,24-,25-,26+,27-,28-,29-/m0/s1