2-[11-methoxy-3,16,17-tris(oxidanyl)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile

Systemtic Name: 2-[11-methoxy-3,16,17-tris(oxidanyl)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-(3,16,17-trihydroxy-11-methoxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(3,16,17-trihydroxy-11-methoxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(3,16,17-trihydroxy-11-methoxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(3,16,17-trihydroxy-11-methoxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3)C=C(C=C4)O

Isomeric SMILES

COC1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3)C=C(C=C4)O

InChI

InChI=1S/C20H25NO4/c1-25-17-10-16-15(9-18(23)20(16,24)6-7-21)14-4-2-11-8-12(22)3-5-13(11)19(14)17/h3,5,8,14-19,22-24H,2,4,6,9-10H2,1H3