2-[[4-[2-[(10R,13S,17R)-17-acetyloxy-10,13-dimethyl-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]butanedioic acid

Systemtic Name: 2-[[4-[2-[(10R,13S,17R)-17-acetyloxy-10,13-dimethyl-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]butanedioic acid Openeye Name: 2-[[4-[2-[(10R,13S,17R)-17-acetoxy-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]butanedioic acid CAS Name: 2-[[4-[2-[(10R,13S,17R)-17-acetyloxy-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]butanedioic acid IUPAC Name: 2-[[4-[2-[(10R,13S,17R)-17-acetyloxy-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]butanedioic acid Traditional Name: 2-[[4-[2-[(10R,13S,17R)-17-acetoxy-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]succinic acid Formula: C31H41NO11 MolecularWeight: 603.65734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)COC(=O)CCC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)O[C@@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)C(=O)COC(=O)CCC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C31H41NO11/c1-17(33)43-31(24(35)16-42-27(39)7-6-25(36)32-23(28(40)41)15-26(37)38)13-10-22-20-5-4-18-14-19(34)8-11-29(18,2)21(20)9-12-30(22,31)3/h14,20-23H,4-13,15-16H2,1-3H3,(H,32,36)(H,37,38)(H,40,41)/t20?,21?,22?,23?,29-,30-,31-/m0/s1