![3.alpha.-Acetoxy-23-(1H-imidazo[4,5-c]pyridin-2'-yl)nor-cholane](/api/spectrum/HlsG8T9zpkl/structure.png?h=300&w=458 "3.alpha.-Acetoxy-23-(1H-imidazo[4,5-c]pyridin-2'-yl)nor-cholane")
| SpectraBase Compound ID | 424Kz8BdiGr |
|---|---|
| InChI | InChI=1S/C31H45N3O2/c1-19(5-10-29-33-27-13-16-32-18-28(27)34-29)24-8-9-25-23-7-6-21-17-22(36-20(2)35)11-14-30(21,3)26(23)12-15-31(24,25)4/h13,16,18-19,21-26H,5-12,14-15,17H2,1-4H3,(H,33,34)/t19?,21?,22-,23?,24?,25?,26?,30?,31?/m1/s1 |
| InChIKey | HZOZXDVFEJUQBV-LTLLCBQDSA-N |
| Mol Weight | 491.7 g/mol |
| Molecular Formula | C31H45N3O2 |
| Exact Mass | 491.351178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HlsG8T9zpkl |
|---|---|
| Name | 3.alpha.-Acetoxy-23-(1H-imidazo[4,5-c]pyridin-2'-yl)nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H45N3O2 |
| InChI | InChI=1S/C31H45N3O2/c1-19(5-10-29-33-27-13-16-32-18-28(27)34-29)24-8-9-25-23-7-6-21-17-22(36-20(2)35)11-14-30(21,3)26(23)12-15-31(24,25)4/h13,16,18-19,21-26H,5-12,14-15,17H2,1-4H3,(H,33,34)/t19?,21?,22-,23?,24?,25?,26?,30?,31?/m1/s1 |
| InChIKey | HZOZXDVFEJUQBV-LTLLCBQDSA-N |
| Molecular Weight | 491.720 g/mol |
| SMILES | [nH]1c2cnccc2nc1CCC(C1C2(C(C3C(C4(C(C[C@](OC(=O)C)(CC4)[H])CC3)C)CC2)CC1)C)C |
| SPLASH | splash10-000t-1900000000-5a21eca182ffcbbf1e62 |
| Source of Spectrum | G-60-274-0 |
| Wiley ID | 748918 |