11-hexyl-3-methoxy-13-methyl-17-oxidanyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile

Systemtic Name: 11-hexyl-3-methoxy-13-methyl-17-oxidanyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile Openeye Name: 11-hexyl-17-hydroxy-3-methoxy-13-methyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile CAS Name: 11-hexyl-17-hydroxy-3-methoxy-13-methyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile IUPAC Name: 11-hexyl-17-hydroxy-3-methoxy-13-methyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile Traditional Name: 11-hexyl-17-hydroxy-3-methoxy-13-methyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthrene-8-carbonitrile Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C3=C(CCC2(C4CCC(C4(C1)C)O)C#N)C=C(C=C3)OC

Isomeric SMILES

CCCCCCC1=C2C3=C(CCC2(C4CCC(C4(C1)C)O)C#N)C=C(C=C3)OC

InChI

InChI=1S/C26H35NO2/c1-4-5-6-7-8-19-16-25(2)22(11-12-23(25)28)26(17-27)14-13-18-15-20(29-3)9-10-21(18)24(19)26/h9-10,15,22-23,28H,4-8,11-14,16H2,1-3H3