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

Systemtic Name: 2-[3,16,17-tris(oxidanyl)-7-phenyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-(3,16,17-trihydroxy-7-phenyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile CAS Name: 2-(3,16,17-trihydroxy-7-phenyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile IUPAC Name: 2-(3,16,17-trihydroxy-7-phenyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile Traditional Name: 2-(3,16,17-trihydroxy-7-phenyl-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)acetonitrile Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3C5=CC=CC=C5)C=C(C=C4)O

Isomeric SMILES

C1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3C5=CC=CC=C5)C=C(C=C4)O

InChI

InChI=1S/C25H27NO3/c26-11-10-25(29)22-9-8-19-18-7-6-17(27)12-16(18)13-20(15-4-2-1-3-5-15)24(19)21(22)14-23(25)28/h1-7,12,19-24,27-29H,8-10,13-14H2