| SpectraBase Spectrum ID |
ILhV1xl8tX7 |
| Name |
Methyl 15,17-diacetoxylabd-Z-12-en-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.282489002 u |
| Formula |
C25H40O6 |
| InChI |
InChI=1S/C25H40O6/c1-17(12-15-30-18(2)26)8-10-21-20(16-31-19(3)27)9-11-22-24(21,4)13-7-14-25(22,5)23(28)29-6/h8,20-22H,7,9-16H2,1-6H3/b17-8-/t20?,21-,22+,24+,25-/m0/s1 |
| InChIKey |
GOMYTMDYPBEGNO-AFKPOPRYSA-N |
| Molecular Weight |
436.589 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(C\C=C/(CCOC(=O)C)C)[H])COC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807237 |
