2-[10,13-dimethyl-3,14,17-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanenitrile

Systemtic Name: 2-[10,13-dimethyl-3,14,17-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-(3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4(CC#N)O)O)C)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4(CC#N)O)O)C)O

InChI

InChI=1S/C21H33NO3/c1-18-7-5-15(23)13-14(18)3-4-17-16(18)6-8-19(2)20(24,11-12-22)9-10-21(17,19)25/h14-17,23-25H,3-11,13H2,1-2H3