| SpectraBase Compound ID | 9Sw64JkGVwT |
|---|---|
| InChI | InChI=1S/C41H60N2O5/c1-28(13-16-38(46)43-24-22-42(23-25-43)21-9-12-31-10-7-6-8-11-31)34-14-15-35-39-36(18-20-41(34,35)5)40(4)19-17-33(47-29(2)44)26-32(40)27-37(39)48-30(3)45/h6-12,28,32-37,39H,13-27H2,1-5H3/b12-9+/t28-,32-,33+,34?,35+,36+,37-,39-,40-,41+/m0/s1 |
| InChIKey | XLNFPURKYBZTTL-RLTYLUOESA-N |
| Mol Weight | 660.9 g/mol |
| Molecular Formula | C41H60N2O5 |
| Exact Mass | 660.450223 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HAM8LXfrEhq |
|---|---|
| Name | N-(4N-cinnamylpiperazin-1-yl)-3.alpha.,7.beta.-di-acetoxy-5.beta.-cholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H60N2O5 |
| InChI | InChI=1S/C41H60N2O5/c1-28(13-16-38(46)43-24-22-42(23-25-43)21-9-12-31-10-7-6-8-11-31)34-14-15-35-39-36(18-20-41(34,35)5)40(4)19-17-33(47-29(2)44)26-32(40)27-37(39)48-30(3)45/h6-12,28,32-37,39H,13-27H2,1-5H3/b12-9+/t28-,32-,33+,34?,35+,36+,37-,39-,40-,41+/m0/s1 |
| InChIKey | XLNFPURKYBZTTL-RLTYLUOESA-N |
| Molecular Weight | 660.940 g/mol |
| SMILES | [C@]12([C@@]([C@]3([C@@]([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])C[C@@]3(OC(=O)C)[H])C)([H])CC1)[H])(CCC2[C@](CCC(N1CCN(C\C=C\c2ccccc2)CC1)=O)(C)[H])[H])C |
| SPLASH | splash10-00di-0930005000-7fbf4ee30da5a5d5a601 |
| Source of Spectrum | F2-45-2916-6b |
| Wiley ID | 1689232 |