N-(2-Naphthyl)-3-formyllithocholic amide
[(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
Also Known As: N-(2-Naphthyl)-3-formyllithocholic amide|3-(Formyloxy)-N-(naphthalen-2-yl)cholan-24-imidic acid|24-[(Naphthalen-2-yl)amino]-24-oxo-5beta-cholan-3alpha-yl formate|[(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
| Molecular Formula | C35H47NO3 |
|---|---|
| Molecular Weight | 529.3556 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.3556 |
| Monoisotopic Mass | 529.3556 |
| Heavy Atoms | 39 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 39780-92-2 |
|---|---|
| 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 |
| InChIKey | VPXWTULMSVPJTL-XMNOZWNQSA-N |
Product Overview
N-(2-Naphthyl)-3-formyllithocholic amide (CAS 39780-92-2), with molecular formula C35H47NO3 and molecular weight 529.3556 g/mol. IUPAC: [(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.