[2-[(10R,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(10R,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-[(10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 4-[(1-ethoxycarbonyl-2-hydroxy-2-phenyl-ethyl)amino]-4-oxo-butanoate CAS Name: 4-[(1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid [2-[(10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(10R,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[(1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-carbethoxy-2-hydroxy-2-phenyl-ethyl)amino]-4-keto-butyric acid [2-[(10R,13S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C36H47NO10 MolecularWeight: 653.75908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)OCC(=O)C2(CCC3C2(CC(C4C3CCC5=CC(=O)CCC45C)O)C)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)O)NC(=O)CCC(=O)OCC(=O)[C@]2(CCC3[C@@]2(CC(C4C3CCC5=CC(=O)CC[C@]45C)O)C)O

InChI

InChI=1S/C36H47NO10/c1-4-46-33(44)31(32(43)21-8-6-5-7-9-21)37-28(41)12-13-29(42)47-20-27(40)36(45)17-15-25-24-11-10-22-18-23(38)14-16-34(22,2)30(24)26(39)19-35(25,36)3/h5-9,18,24-26,30-32,39,43,45H,4,10-17,19-20H2,1-3H3,(H,37,41)/t24?,25?,26?,30?,31?,32?,34-,35-,36-/m0/s1