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

Systemtic Name: (2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]butanedioate Openeye Name: (2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoyl]amino]butanedioate CAS Name: (2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-1,4-dioxobutyl]amino]butanedioate IUPAC Name: (2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]amino]butanedioate Traditional Name: (2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,17S)-17-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butanoyl]amino]succinate Formula: C29H37NO10-2 MolecularWeight: 559.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NC(CC(=O)[O-])C(=O)[O-])O)C

Isomeric SMILES

C[C@@]12CCC(=O)C=C1CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@]4(C(=O)COC(=O)CCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-])O)C

InChI

InChI=1S/C29H39NO10/c1-27-10-7-17(31)13-16(27)3-4-18-19(27)8-11-28(2)20(18)9-12-29(28,39)22(32)15-40-25(36)6-5-23(33)30-21(26(37)38)14-24(34)35/h13,18-21,39H,3-12,14-15H2,1-2H3,(H,30,33)(H,34,35)(H,37,38)/p-2/t18-,19+,20-,21+,27+,28-,29+/m0/s1