| SpectraBase Spectrum ID |
KdJ6bnkzRND |
| Name |
3.beta.,7.beta.-Dimethoxy-cholest-5-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.381080848 u |
| Formula |
C29H50O2 |
| InChI |
InChI=1S/C29H50O2/c1-19(2)9-8-10-20(3)23-11-12-24-27-25(14-16-29(23,24)5)28(4)15-13-22(30-6)17-21(28)18-26(27)31-7/h18-20,22-27H,8-17H2,1-7H3 |
| InChIKey |
CKIKYSZMBVFBFY-UHFFFAOYSA-N |
| Molecular Weight |
430.717 g/mol |
| SMILES |
C12(CCC(CC2=CC(C2C1CCC1(C2CCC1C(CCCC(C)C)C)C)OC)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858234 |
