7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methyl-nonanamide

Systemtic Name: 7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methyl-nonanamide Openeye Name: 7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methyl-nonanamide CAS Name: 7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methylnonanamide IUPAC Name: 7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methylnonanamide Traditional Name: 7-(bromomethyl)-N-butyl-9-[(8R,9S,13S,14S,16R,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]-N-methyl-pelargonamide Formula: C34H54BrNO3 MolecularWeight: 604.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCCCCC(CCC1CC2C3CCC4=C(C3CCC2(C1O)C)C=CC(=C4)OC)CBr

Isomeric SMILES

CCCCN(C)C(=O)CCCCCC(CC[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)OC)CBr

InChI

InChI=1S/C34H54BrNO3/c1-5-6-20-36(3)32(37)11-9-7-8-10-24(23-35)12-13-26-22-31-30-16-14-25-21-27(39-4)15-17-28(25)29(30)18-19-34(31,2)33(26)38/h15,17,21,24,26,29-31,33,38H,5-14,16,18-20,22-23H2,1-4H3/t24?,26-,29-,30-,31+,33+,34+/m1/s1