| SpectraBase Compound ID | H5xwZp37O3E |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-8-21(28(32-7)19(2)3)17-20(4)25-11-12-26-24-10-9-22-18-23(31)13-15-29(22,5)27(24)14-16-30(25,26)6/h8-9,19-20,23-28,31H,10-18H2,1-7H3/b21-8-/t20-,23+,24+,25-,26+,27+,28?,29+,30-/m1/s1 |
| InChIKey | JOHWFMOJCYYTMN-DXZIQOLNSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dj31KyGYT7k |
|---|---|
| Name | Cholest-5-en-3-ol, 23-ethylidene-24-methoxy-, (3.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-8-21(28(32-7)19(2)3)17-20(4)25-11-12-26-24-10-9-22-18-23(31)13-15-29(22,5)27(24)14-16-30(25,26)6/h8-9,19-20,23-28,31H,10-18H2,1-7H3/b21-8-/t20-,23+,24+,25-,26+,27+,28?,29+,30-/m1/s1 |
| InChIKey | JOHWFMOJCYYTMN-DXZIQOLNSA-N |
| Molecular Weight | 442.728 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@@](C\C(C(C(C)C)OC)=C\C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879905 |