methyl (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-1,4a-dimethyl-7-oxidanyl-8-oxidanylidene-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-1,4a-dimethyl-7-oxidanyl-8-oxidanylidene-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-methoxy-2-oxo-ethyl)-7-hydroxy-7-isopropyl-1,4a-dimethyl-8-oxo-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate CAS Name: (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-methoxy-2-oxoethyl)-7-hydroxy-1,4a-dimethyl-8-oxo-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-methoxy-2-oxoethyl)-7-hydroxy-1,4a-dimethyl-8-oxo-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aR,4bS,7S,8aR,9R,10aR)-9-(1-cyano-2-keto-2-methoxy-ethyl)-7-hydroxy-7-isopropyl-8-keto-1,4a-dimethyl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC2C(C1=O)C(CC3C2(CCCC3(C)C(=O)OC)C)C(C#N)C(=O)OC)O

Isomeric SMILES

CC(C)[C@]1(CC[C@H]2[C@H](C1=O)[C@@H](C[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C(C#N)C(=O)OC)O

InChI

InChI=1S/C25H37NO6/c1-14(2)25(30)11-8-17-19(20(25)27)15(16(13-26)21(28)31-5)12-18-23(17,3)9-7-10-24(18,4)22(29)32-6/h14-19,30H,7-12H2,1-6H3/t15-,16?,17-,18+,19+,23+,24+,25-/m0/s1