4-[[[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]methyl]benzoate

Systemtic Name: 4-[[[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]methyl]benzoate Openeye Name: 4-[[[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]methyl]benzoate CAS Name: 4-[[[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]methyl]benzoate IUPAC Name: 4-[[[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]methyl]benzoate Traditional Name: 4-[[[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]methyl]benzoate Formula: C33H40NO8- MolecularWeight: 578.6726

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCC5=CC=C(C=C5)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)NCC5=CC=C(C=C5)C(=O)[O-])O)C

InChI

InChI=1S/C33H41NO8/c1-31-14-11-23(35)17-22(31)7-8-24-25(31)12-15-32(2)26(24)13-16-33(32,41)27(36)19-42-29(38)10-9-28(37)34-18-20-3-5-21(6-4-20)30(39)40/h3-6,17,24-26,41H,7-16,18-19H2,1-2H3,(H,34,37)(H,39,40)/p-1/t24-,25+,26-,31+,32-,33+/m0/s1