| SpectraBase Compound ID | F08BIzFjEdE |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19(2)24(20(3)4)10-8-21(5)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,6)28(25)15-17-30(26,27)7/h9,20-21,23-28,31H,1,8,10-18H2,2-7H3/t21?,23-,24?,25?,26?,27?,28?,29-,30+/m0/s1 |
| InChIKey | DGSFHNTYGAUZML-DXJCDKLMSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3oZhSo9wOBT |
|---|---|
| Name | (24.xi.)-Isopropenylcholesterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19(2)24(20(3)4)10-8-21(5)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,6)28(25)15-17-30(26,27)7/h9,20-21,23-28,31H,1,8,10-18H2,2-7H3/t21?,23-,24?,25?,26?,27?,28?,29-,30+/m0/s1 |
| InChIKey | DGSFHNTYGAUZML-DXJCDKLMSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](O)(C4)[H])C)CCC1C(CCC(C(=C)C)C(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9314 |