[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl (8S,9S,10R,13S,14S)-16-cyano-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl (8S,9S,10R,13S,14S)-16-cyano-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (8S,9S,10R,13S,14S)-16-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: (8S,9S,10R,13S,14S)-16-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (8S,9S,10R,13S,14S)-16-cyano-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (8S,9S,10R,13S,14S)-16-cyano-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H36N6O7 MolecularWeight: 604.65354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3C(CC4C3(CC(C5C4CCC6=CC(=O)C=CC56C)O)C)C#N)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3C(C[C@@H]4[C@@]3(CC([C@H]5[C@H]4CCC6=CC(=O)C=C[C@]56C)O)C)C#N)N=[N+]=[N-]

InChI

InChI=1S/C31H36N6O7/c1-15-13-37(29(42)34-27(15)40)24-10-21(35-36-33)23(44-24)14-43-28(41)25-16(12-32)8-20-19-5-4-17-9-18(38)6-7-30(17,2)26(19)22(39)11-31(20,25)3/h6-7,9,13,16,19-26,39H,4-5,8,10-11,14H2,1-3H3,(H,34,40,42)/t16?,19-,20-,21-,22?,23+,24+,25?,26+,30-,31-/m0/s1