(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-nitroso-16-[(E)-1H-pyridin-2-ylidenemethyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CC(=C4N=O)C=C5C=CC=CN5)C)O

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=C4N=O)/C=C/5\C=CC=CN5)C)O

InChI

InChI=1S/C25H32N2O2/c1-24-10-8-19(28)15-17(24)6-7-20-21(24)9-11-25(2)22(20)14-16(23(25)27-29)13-18-5-3-4-12-26-18/h3-6,12-13,19-22,26,28H,7-11,14-15H2,1-2H3/b18-13+/t19-,20+,21-,22-,24-,25-/m0/s1