| SpectraBase Spectrum ID |
HmUGLZBKwHw |
| Name |
Methyl 9(S)-8,8-ethylendioxy-9-methyl-8,9-seco-labdan-15-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-18(17-21(25)26-7)9-10-19(2)23(5)13-8-12-22(3,4)20(23)11-14-24(6)27-15-16-28-24/h18-20H,8-17H2,1-7H3/t18-,19+,20-,23+/m0/s1 |
| InChIKey |
BIKTZIDIMNBLOG-FAKFISEUSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
[C@@]1([C@](C(C)(C)CCC1)(CCC1(OCCO1)C)[H])([C@@](CC[C@@](CC(=O)OC)(C)[H])(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987392 |
