| SpectraBase Compound ID | A8IGxlQTz6m |
|---|---|
| InChI | InChI=1S/C26H43NO2/c1-17(6-11-24(29)27(4)5)21-9-10-22-20-8-7-18-16-19(28)12-14-25(18,2)23(20)13-15-26(21,22)3/h8,17-19,21-23,28H,6-7,9-16H2,1-5H3/t17-,18-,19-,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | WLXLJAZGWKZRNG-WQUACLHYSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C26H43NO2 |
| Exact Mass | 401.32938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HouyexCrXXV |
|---|---|
| Name | Chol-7-en-24-amide, 3-hydroxy-N,N-dimethyl-, (3.alpha.,5.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.329379627 u |
| Formula | C26H43NO2 |
| InChI | InChI=1S/C26H43NO2/c1-17(6-11-24(29)27(4)5)21-9-10-22-20-8-7-18-16-19(28)12-14-25(18,2)23(20)13-15-26(21,22)3/h8,17-19,21-23,28H,6-7,9-16H2,1-5H3/t17-,18-,19-,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | WLXLJAZGWKZRNG-WQUACLHYSA-N |
| Molecular Weight | 401.635 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCC(N(C)C)=O)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](C[C@]2(CC1)[H])(O)[H])C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960275 |