| SpectraBase Compound ID | BVbWLetRSsd |
|---|---|
| InChI | InChI=1S/C29H51N3O3/c1-19(5-8-26(35)30-32-15-13-31(4)14-16-32)22-6-7-23-27-24(10-12-29(22,23)3)28(2)11-9-21(33)17-20(28)18-25(27)34/h19-25,27,33-34H,5-18H2,1-4H3,(H,30,35)/t19-,20-,21+,22?,23+,24+,25+,27-,28-,29+/m0/s1 |
| InChIKey | JYJHVYWXVCWVEG-KHINDUBYSA-N |
| Mol Weight | 489.7 g/mol |
| Molecular Formula | C29H51N3O3 |
| Exact Mass | 489.393043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5wNDlfmnlBN |
|---|---|
| Name | N-(4N-methylpiperazin-1-yl)-3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H51N3O3 |
| InChI | InChI=1S/C29H51N3O3/c1-19(5-8-26(35)30-32-15-13-31(4)14-16-32)22-6-7-23-27-24(10-12-29(22,23)3)28(2)11-9-21(33)17-20(28)18-25(27)34/h19-25,27,33-34H,5-18H2,1-4H3,(H,30,35)/t19-,20-,21+,22?,23+,24+,25+,27-,28-,29+/m0/s1 |
| InChIKey | JYJHVYWXVCWVEG-KHINDUBYSA-N |
| Molecular Weight | 489.745 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]([C@]3([C@@]([C@@](C2)(O)[H])([C@@]2([C@](CC3)(C(CC2)[C@](CCC(NN2CCN(CC2)C)=O)(C)[H])C)[H])[H])[H])(CC1)C)[H])[H] |
| SPLASH | splash10-00dr-0400900000-6928705500eb2dafda09 |
| Source of Spectrum | F2-45-2917-5c |
| Wiley ID | 1689229 |