| SpectraBase Compound ID | 78QOm8e1eYd |
|---|---|
| InChI | InChI=1S/C34H48N2O4/c1-20(10-13-31-35-28-8-6-7-9-29(28)36-31)25-11-12-26-32-27(15-17-34(25,26)5)33(4)16-14-24(39-21(2)37)18-23(33)19-30(32)40-22(3)38/h6-9,20,23-27,30,32H,10-19H2,1-5H3,(H,35,36)/t20?,23?,24-,25?,26?,27?,30-,32?,33?,34?/m1/s1 |
| InChIKey | HHBACNGRDCJLBR-NWEDCONNSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C34H48N2O4 |
| Exact Mass | 548.361408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ee9WYkGbwB9 |
|---|---|
| Name | 3.alpha.,7.alpha.-Diacetoxy-23-(benzimidazol-2'-yl)nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48N2O4 |
| InChI | InChI=1S/C34H48N2O4/c1-20(10-13-31-35-28-8-6-7-9-29(28)36-31)25-11-12-26-32-27(15-17-34(25,26)5)33(4)16-14-24(39-21(2)37)18-23(33)19-30(32)40-22(3)38/h6-9,20,23-27,30,32H,10-19H2,1-5H3,(H,35,36)/t20?,23?,24-,25?,26?,27?,30-,32?,33?,34?/m1/s1 |
| InChIKey | HHBACNGRDCJLBR-NWEDCONNSA-N |
| Molecular Weight | 548.768 g/mol |
| SMILES | [nH]1c2ccccc2nc1CCC(C1C2(C(C3C(C4(CC[C@@](OC(=O)C)(CC4C[C@]3(OC(=O)C)[H])[H])C)CC2)CC1)C)C |
| SPLASH | splash10-001j-3900000000-581a1704d233d2667c2d |
| Source of Spectrum | G-60-265-0 |
| Wiley ID | 748937 |