| SpectraBase Spectrum ID |
AavyZz9LCBY |
| Name |
(8.beta.,22E)-de-A,B-8-Methoxymethyloxyergost-22-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.287180462 u |
| Formula |
C21H38O2 |
| InChI |
InChI=1S/C21H38O2/c1-15(2)16(3)9-10-17(4)18-11-12-19-20(23-14-22-6)8-7-13-21(18,19)5/h9-10,15-20H,7-8,11-14H2,1-6H3/b10-9+/t16-,17+,18+,19-,20-,21+/m0/s1 |
| InChIKey |
MPGPDXZHZVSTMC-FAHWJVODSA-N |
| Molecular Weight |
322.533 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])([C@@](OCOC)(CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875001 |
