[(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: [(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4R)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: [(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid [(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-hydroxy-2-methylol-pyrrolidine-1-carboxylic acid [(3S,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H61NO4 MolecularWeight: 559.86314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)N5CC(CC5CO)O)C)C)C(C)C

Isomeric SMILES

CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)OC(=O)N5C[C@@H](C[C@H]5CO)O)C)C)C(C)C

InChI

InChI=1S/C35H61NO4/c1-7-24(22(2)3)9-8-23(4)30-12-13-31-29-11-10-25-18-28(40-33(39)36-20-27(38)19-26(36)21-37)14-16-34(25,5)32(29)15-17-35(30,31)6/h22-32,37-38H,7-21H2,1-6H3/t23-,24?,25?,26+,27-,28+,29+,30-,31+,32+,34+,35-/m1/s1