![23-(Benzimidazol-2'-yl)-3.alpha.-[( O-acetyllithocholoyl)oxy]nor-cholane](/api/spectrum/43lse8TaQbY/structure.png?h=300&w=458 "23-(Benzimidazol-2'-yl)-3.alpha.-[( O-acetyllithocholoyl)oxy]nor-cholane")
| SpectraBase Compound ID | 8Yi7BOdqCgm |
|---|---|
| InChI | InChI=1S/C56H84N2O4/c1-33(12-22-51-57-49-10-8-9-11-50(49)58-51)42-18-20-44-40-16-14-36-31-39(24-27-53(36,4)46(40)25-28-54(42,44)5)62-52(61)23-13-34(2)43-19-21-45-41-17-15-37-30-38(60)32-48(35(3)59)56(37,7)47(41)26-29-55(43,45)6/h8-11,33-34,36-48,60H,12-32H2,1-7H3,(H,57,58)/t33?,34-,36?,37?,38+,39-,40?,41+,42?,43-,44?,45+,46?,47+,48?,53?,54?,55-,56+/m1/s1 |
| InChIKey | BFXOPIJHNRLTCE-MTXKSMTDSA-N |
| Mol Weight | 849.3 g/mol |
| Molecular Formula | C56H84N2O4 |
| Exact Mass | 848.643109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 43lse8TaQbY |
|---|---|
| Name | 23-(Benzimidazol-2'-yl)-3.alpha.-[( O-acetyllithocholoyl)oxy]nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H84N2O4 |
| InChI | InChI=1S/C56H84N2O4/c1-33(12-22-51-57-49-10-8-9-11-50(49)58-51)42-18-20-44-40-16-14-36-31-39(24-27-53(36,4)46(40)25-28-54(42,44)5)62-52(61)23-13-34(2)43-19-21-45-41-17-15-37-30-38(60)32-48(35(3)59)56(37,7)47(41)26-29-55(43,45)6/h8-11,33-34,36-48,60H,12-32H2,1-7H3,(H,57,58)/t33?,34-,36?,37?,38+,39-,40?,41+,42?,43-,44?,45+,46?,47+,48?,53?,54?,55-,56+/m1/s1 |
| InChIKey | BFXOPIJHNRLTCE-MTXKSMTDSA-N |
| Molecular Weight | 849.298 g/mol |
| SMILES | [nH]1c2ccccc2nc1CCC(C1CCC2C3CCC4C[C@](OC(CC[C@]([C@@]5([C@@]6([C@]([C@]7([C@@]([C@]8(C(C[C@](CC8CC7)(O)[H])C(=O)C)C)(CC6)[H])[H])(CC5)[H])C)[H])(C)[H])=O)(CCC4(C3CCC12C)C)[H])C |
| SPLASH | splash10-000t-2900000000-4f2cb5d1d5299ffad474 |
| Source of Spectrum | G-60-267-0 |
| Wiley ID | 748933 |