| SpectraBase Compound ID | C4s8HiF1AzK |
|---|---|
| InChI | InChI=1S/C29H51N3O4/c1-18(5-8-26(36)30-32-13-11-31(4)12-14-32)21-6-7-22-27-23(17-25(35)29(21,22)3)28(2)10-9-20(33)15-19(28)16-24(27)34/h18-25,27,33-35H,5-17H2,1-4H3,(H,30,36)/t18-,19-,20+,21?,22+,23+,24+,25-,27-,28-,29+/m0/s1 |
| InChIKey | LDIKZIIZCDFTRY-CXUVPXCXSA-N |
| Mol Weight | 505.7 g/mol |
| Molecular Formula | C29H51N3O4 |
| Exact Mass | 505.387957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LG097XnIttz |
|---|---|
| Name | N-(4N-methylpiperazin-1-yl)-3.alpha.,7.alpha.,12.alpha.-trihydroxy-5.beta.-cholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H51N3O4 |
| InChI | InChI=1S/C29H51N3O4/c1-18(5-8-26(36)30-32-13-11-31(4)12-14-32)21-6-7-22-27-23(17-25(35)29(21,22)3)28(2)10-9-20(33)15-19(28)16-24(27)34/h18-25,27,33-35H,5-17H2,1-4H3,(H,30,36)/t18-,19-,20+,21?,22+,23+,24+,25-,27-,28-,29+/m0/s1 |
| InChIKey | LDIKZIIZCDFTRY-CXUVPXCXSA-N |
| Molecular Weight | 505.744 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]([C@]3([C@]([C@@]4([C@@](C([C@](CCC(NN5CCN(CC5)C)=O)(C)[H])CC4)([C@](C3)(O)[H])C)[H])([C@@](C2)(O)[H])[H])[H])(CC1)C)[H])[H] |
| SPLASH | splash10-00di-0910430000-6b49ac9ad8788ea73643 |
| Source of Spectrum | F2-45-2917-5a |
| Wiley ID | 1689231 |