| SpectraBase Compound ID | 6bvn5aNKmFP |
|---|---|
| InChI | InChI=1S/C29H52N2O2/c1-20(7-12-27(33)31-18-6-4-5-17-30)24-10-11-25-23-9-8-21-19-22(32)13-15-28(21,2)26(23)14-16-29(24,25)3/h20-26,32H,4-19,30H2,1-3H3,(H,31,33)/t20-,21-,22-,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | QJRHXDIUIOCFMY-FDQXRLNISA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H52N2O2 |
| Exact Mass | 460.402879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Eqifsbtsygv |
|---|---|
| Name | N-(1-1,5-diaminopentyl)lithocholylamide |
| Alternate Name(s) | (3alpha,5beta)-N-(5-aminopentyl)-3-hydroxycholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52N2O2 |
| InChI | InChI=1S/C29H52N2O2/c1-20(7-12-27(33)31-18-6-4-5-17-30)24-10-11-25-23-9-8-21-19-22(32)13-15-28(21,2)26(23)14-16-29(24,25)3/h20-26,32H,4-19,30H2,1-3H3,(H,31,33)/t20-,21-,22-,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | QJRHXDIUIOCFMY-FDQXRLNISA-N |
| Molecular Weight | 460.747 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC(=O)NCCCCCN)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H] |
| SPLASH | splash10-0005-0600900000-c53e9eab51801a401b9a |
| Source of Spectrum | O-29-335-0 |
| Wiley ID | 1390637 |