![N-[O-(Acetyl)lithocholyl]4-methylpiperazine](/api/spectrum/bqZOLod9nr/structure.png?h=300&w=458 "N-[O-(Acetyl)lithocholyl]4-methylpiperazine")
| SpectraBase Compound ID | ADuQ9D59TF5 |
|---|---|
| InChI | InChI=1S/C31H52N2O3/c1-21(6-11-29(35)33-18-16-32(5)17-19-33)26-9-10-27-25-8-7-23-20-24(36-22(2)34)12-14-30(23,3)28(25)13-15-31(26,27)4/h21,23-28H,6-20H2,1-5H3/t21-,23-,24-,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | LSZSTLJDUKZERK-QGZYWBLLSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C31H52N2O3 |
| Exact Mass | 500.397794 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | bqZOLod9nr |
|---|---|
| Name | N-[O-(Acetyl)lithocholyl]4-methylpiperazine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52N2O3 |
| InChI | InChI=1S/C31H52N2O3/c1-21(6-11-29(35)33-18-16-32(5)17-19-33)26-9-10-27-25-8-7-23-20-24(36-22(2)34)12-14-30(23,3)28(25)13-15-31(26,27)4/h21,23-28H,6-20H2,1-5H3/t21-,23-,24-,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | LSZSTLJDUKZERK-QGZYWBLLSA-N |
| Molecular Weight | 500.768 g/mol |
| SMILES | [C@]12(C(C3C([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])([H])CC3)C)CC1)CC[C@@]2([C@@](CCC(N1CCN(CC1)C)=O)(C)[H])[H])C |
| SPLASH | splash10-0ab9-9300000000-eeb3233509390d1e4b48 |
| Source of Spectrum | G-62-474-2 |
| Wiley ID | 749256 |