| SpectraBase Compound ID | AXMGBAsxnbm |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h11,18-19,21-25,28H,6-10,12-17H2,1-5H3/t19-,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | VGPZGKAKMKKHLR-MTRSAVRQSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XquZfl6MHD |
|---|---|
| Name | psi-Cholesterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.354866100 u |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h11,18-19,21-25,28H,6-10,12-17H2,1-5H3/t19-,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | VGPZGKAKMKKHLR-MTRSAVRQSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | C1CC[C@]2(C(=C1)C[C@@]([C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938456 |