| SpectraBase Spectrum ID |
FocoKYWfzb3 |
| Name |
Methyl cheilantha-12,17-dien-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.318480590 u |
| Formula |
C26H42O2 |
| InChI |
InChI=1S/C26H42O2/c1-18(17-23(27)28-7)9-11-20-19(2)10-12-22-25(20,5)16-13-21-24(3,4)14-8-15-26(21,22)6/h10,17,20-22H,8-9,11-16H2,1-7H3/b18-17+ |
| InChIKey |
KDSPMOXSDVRGPT-ISLYRVAYSA-N |
| Molecular Weight |
386.620 g/mol |
| SMILES |
C12(C(C3(CCCC(C3CC2)(C)C)C)CC=C(C1CC\C(=C\C(=O)OC)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960535 |
