![23-(Benzimidazol-2'-yl)-3.alpha.-[(lithocholoyl)oxy]nor-cholane](/api/spectrum/HbWLUuBQfi3/structure.png?h=300&w=458 "23-(Benzimidazol-2'-yl)-3.alpha.-[(lithocholoyl)oxy]nor-cholane")
| SpectraBase Compound ID | 20qgyZlHUCm |
|---|---|
| InChI | InChI=1S/C54H82N2O3/c1-33(11-21-49-55-47-9-7-8-10-48(47)56-49)41-17-19-44-40-16-14-36-32-38(24-28-52(36,4)46(40)26-30-53(41,44)5)59-50(58)22-12-34(2)42-18-20-43-39-15-13-35-31-37(57)23-27-51(35,3)45(39)25-29-54(42,43)6/h7-10,33-46,57H,11-32H2,1-6H3,(H,55,56)/t33?,34-,35-,36?,37-,38-,39?,40?,41?,42-,43?,44?,45?,46?,51+,52?,53?,54-/m1/s1 |
| InChIKey | FVFGIQLUIUFCAN-LODLJQHPSA-N |
| Mol Weight | 807.3 g/mol |
| Molecular Formula | C54H82N2O3 |
| Exact Mass | 806.632545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HbWLUuBQfi3 |
|---|---|
| Name | 23-(Benzimidazol-2'-yl)-3.alpha.-[(lithocholoyl)oxy]nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C54H82N2O3 |
| InChI | InChI=1S/C54H82N2O3/c1-33(11-21-49-55-47-9-7-8-10-48(47)56-49)41-17-19-44-40-16-14-36-32-38(24-28-52(36,4)46(40)26-30-53(41,44)5)59-50(58)22-12-34(2)42-18-20-43-39-15-13-35-31-37(57)23-27-51(35,3)45(39)25-29-54(42,43)6/h7-10,33-46,57H,11-32H2,1-6H3,(H,55,56)/t33?,34-,35-,36?,37-,38-,39?,40?,41?,42-,43?,44?,45?,46?,51+,52?,53?,54-/m1/s1 |
| InChIKey | FVFGIQLUIUFCAN-LODLJQHPSA-N |
| Molecular Weight | 807.261 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](CCC3C4[C@@]([C@@]([C@@](CCC(O[C@@]5(CCC6(C(CCC7C8C(C(C(CCc9nc%10ccccc%10[nH]9)C)CC8)(CCC67)C)C5)C)[H])=O)(C)[H])(CC4)[H])(CCC23)C)(C1)[H])C)[H] |
| SPLASH | splash10-000t-3900000000-fe7018ef39e75be35bf1 |
| Source of Spectrum | G-60-264-0 |
| Wiley ID | 748941 |