[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-(naphthalen-2-ylamino)-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate

Systemtic Name: [(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-(naphthalen-2-ylamino)-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methyl-4-(2-naphthylamino)-4-oxo-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-(2-naphthalenylamino)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-(naphthalen-2-ylamino)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-keto-1-methyl-4-(2-naphthylamino)butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C35H47NO3 MolecularWeight: 529.75258

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC1=CC2=CC=CC=C2C=C1)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC=O)C)C

Isomeric SMILES

C[C@H](CCC(=O)NC1=CC2=CC=CC=C2C=C1)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)OC=O)C)C

InChI

InChI=1S/C35H47NO3/c1-23(8-15-33(38)36-27-11-9-24-6-4-5-7-25(24)20-27)30-13-14-31-29-12-10-26-21-28(39-22-37)16-18-34(26,2)32(29)17-19-35(30,31)3/h4-7,9,11,20,22-23,26,28-32H,8,10,12-19,21H2,1-3H3,(H,36,38)/t23-,26-,28-,29+,30-,31+,32+,34+,35-/m1/s1