| SpectraBase Compound ID | H7HYs3EHRqH |
|---|---|
| InChI | InChI=1S/C33H55N3O5/c1-21(7-10-30(39)34-36-17-15-35(6)16-18-36)26-8-9-27-31-28(12-14-33(26,27)5)32(4)13-11-25(40-22(2)37)19-24(32)20-29(31)41-23(3)38/h21,24-29,31H,7-20H2,1-6H3,(H,34,39)/t21-,24-,25+,26?,27+,28+,29-,31-,32-,33+/m0/s1 |
| InChIKey | FHJZXGSYYXBSNU-XQFIONAQSA-N |
| Mol Weight | 573.8 g/mol |
| Molecular Formula | C33H55N3O5 |
| Exact Mass | 573.414172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZ6EftfGB6Q |
|---|---|
| Name | N-[4N-Methylpiperazin-1-yl)-3.alpha.,7.beta.-di-acetoxy-5-.beta.cholan-24-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 573.414171878 u |
| Formula | C33H55N3O5 |
| InChI | InChI=1S/C33H55N3O5/c1-21(7-10-30(39)34-36-17-15-35(6)16-18-36)26-8-9-27-31-28(12-14-33(26,27)5)32(4)13-11-25(40-22(2)37)19-24(32)20-29(31)41-23(3)38/h21,24-29,31H,7-20H2,1-6H3,(H,34,39)/t21-,24-,25+,26?,27+,28+,29-,31-,32-,33+/m0/s1 |
| InChIKey | FHJZXGSYYXBSNU-XQFIONAQSA-N |
| Molecular Weight | 573.819 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(NN1CCN(CC1)C)=O)(C)[H])[H])C |