| SpectraBase Compound ID | ecurQfZXCC |
|---|---|
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h8-9,19-25H,6-7,10-18H2,1-5H3/b9-8-/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | USMUKFZHEVHSLG-LOAZMKSDSA-N |
| Mol Weight | 370.7 g/mol |
| Molecular Formula | C27H46 |
| Exact Mass | 370.359951 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FhPXilmTrT6 |
|---|---|
| Name | 5.beta.-Cholest-23-ene, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.359951481 u |
| Formula | C27H46 |
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h8-9,19-25H,6-7,10-18H2,1-5H3/b9-8-/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | USMUKFZHEVHSLG-LOAZMKSDSA-N |
| Molecular Weight | 370.665 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@](CC3)(CCCC2)[H])[H])[H])(CC[C@@]1([C@@](C\C=C/C(C)C)(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924069 |