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

Systemtic Name: [2-[(10R,11S,13S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 4-[2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 4-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethylamino]-4-oxobutanoic acid [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylamino]-4-keto-butyric acid [2-[(10R,11S,13S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C40H53NO8 MolecularWeight: 675.85072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CCNC(=O)CCC(=O)OCC(=O)C2(CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)O)C6=CC=CC=C6)C

Isomeric SMILES

C[C@]12C[C@@H](C3C(C1CC[C@@]2(C(=O)COC(=O)CCC(=O)NCCC4(CCOC(C4)(C)C)C5=CC=CC=C5)O)CCC6=CC(=O)C=C[C@]36C)O

InChI

InChI=1S/C40H53NO8/c1-36(2)25-39(19-21-49-36,26-8-6-5-7-9-26)18-20-41-33(45)12-13-34(46)48-24-32(44)40(47)17-15-30-29-11-10-27-22-28(42)14-16-37(27,3)35(29)31(43)23-38(30,40)4/h5-9,14,16,22,29-31,35,43,47H,10-13,15,17-21,23-25H2,1-4H3,(H,41,45)/t29?,30?,31-,35?,37-,38-,39?,40-/m0/s1