10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile

Systemtic Name: 10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile Openeye Name: 11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile CAS Name: 11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile IUPAC Name: 11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile Traditional Name: 17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CC(C2C(=O)CO)C#N)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

CC12CC(C3C(C1CC(C2C(=O)CO)C#N)CCC4=CC(=O)C=CC34C)O

InChI

InChI=1S/C22H27NO4/c1-21-6-5-14(25)8-13(21)3-4-15-16-7-12(10-23)19(18(27)11-24)22(16,2)9-17(26)20(15)21/h5-6,8,12,15-17,19-20,24,26H,3-4,7,9,11H2,1-2H3