5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(phenylmethyl)pentanamide

Systemtic Name: 5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]pentanamide CAS Name: 5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]pentanamide Traditional Name: N-benzyl-5-[(8R,9S,13S,14S,15R)-17-keto-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]valeramide Formula: C31H39NO3 MolecularWeight: 473.64626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1C(CC2=O)CCCCC(=O)NCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](CC2=O)CCCCC(=O)NCC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C31H39NO3/c1-31-17-16-26-25-15-13-24(35-2)18-22(25)12-14-27(26)30(31)23(19-28(31)33)10-6-7-11-29(34)32-20-21-8-4-3-5-9-21/h3-5,8-9,13,15,18,23,26-27,30H,6-7,10-12,14,16-17,19-20H2,1-2H3,(H,32,34)/t23-,26-,27-,30+,31-/m1/s1