| SpectraBase Compound ID | EJMubL8Z1f3 |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20?,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | WLHQSAYHIOPMMJ-BLXXGIKWSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FVhuYtDnP6b |
|---|---|
| Name | 7.alpha.-Aminocholester-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.365765136 u |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20?,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | WLHQSAYHIOPMMJ-BLXXGIKWSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](C=C4[C@@]([C@]3(CC2)[H])(CCC(O)C4)C)(N)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893415 |