| SpectraBase Spectrum ID |
5tkWEDH610k |
| Name |
Methyl 8-hydroxy-labda-13(16),14-dien-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-7-15(2)9-10-17-19(3)12-8-13-20(4,18(22)24-6)16(19)11-14-21(17,5)23/h7,16-17,23H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+,21-/m1/s1 |
| InChIKey |
DTZNLABWVKXRET-CYPWRKRPSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CC[C@]([C@@]1(CCC(C=C)=C)[H])(O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93494 |
