| SpectraBase Compound ID | AHGcJOTGKG3 |
|---|---|
| InChI | InChI=1S/C26H42O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h5-6,9,18,20-24,27H,7-8,10-17H2,1-4H3/b6-5-/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | MMCIYTUGYPXEME-ISLCAKDVSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C26H42O |
| Exact Mass | 370.323566 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dc2Gyuf2Lzz |
|---|---|
| Name | 27-Norcholesta-5,24-dien-3-ol, (3.beta.,24Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.323565971 u |
| Formula | C26H42O |
| InChI | InChI=1S/C26H42O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h5-6,9,18,20-24,27H,7-8,10-17H2,1-4H3/b6-5-/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey | MMCIYTUGYPXEME-ISLCAKDVSA-N |
| Molecular Weight | 370.621 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC\C=C/C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922368 |