| SpectraBase Compound ID | 9Ys8ZQal13Q |
|---|---|
| InChI | InChI=1S/C31H47NO3/c1-20(9-14-29(35)32-19-21-7-5-4-6-8-21)25-12-13-26-24-11-10-22-17-23(33)15-16-30(22,2)27(24)18-28(34)31(25,26)3/h4-8,20,22-28,33-34H,9-19H2,1-3H3,(H,32,35)/t20-,22-,23-,24+,25-,26+,27+,28+,30+,31-/m1/s1 |
| InChIKey | UHYHALRBUMIQDC-ZZLQJFCYSA-N |
| Mol Weight | 481.7 g/mol |
| Molecular Formula | C31H47NO3 |
| Exact Mass | 481.355594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1cbgcAxPBhZ |
|---|---|
| Name | deoxycholic acid N-benzylamide |
| Alternate Name(s) | (3alpha,5beta,12alpha)-N-benzyl-3,12-dihydroxycholan-24-amide (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(phenylmethyl)pentanamide (4R)-N-benzyl-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(phenylmethyl)pentanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47NO3 |
| InChI | InChI=1S/C31H47NO3/c1-20(9-14-29(35)32-19-21-7-5-4-6-8-21)25-12-13-26-24-11-10-22-17-23(33)15-16-30(22,2)27(24)18-28(34)31(25,26)3/h4-8,20,22-28,33-34H,9-19H2,1-3H3,(H,32,35)/t20-,22-,23-,24+,25-,26+,27+,28+,30+,31-/m1/s1 |
| InChIKey | UHYHALRBUMIQDC-ZZLQJFCYSA-N |
| Molecular Weight | 481.721 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]3([C@](CC[C@]2([C@]2([C@]1([C@@]([C@@](CCC(NCc1ccccc1)=O)(C)[H])(CC2)[H])C)[H])[H])(C[C@@](CC3)(O)[H])[H])C)[H])[H] |
| SPLASH | splash10-0007-6930200000-52a5a834f2d63d650118 |
| Source of Spectrum | JC-562-711-0 |
| Wiley ID | 1395451 |