| SpectraBase Spectrum ID |
ABMsVPYBn4m |
| Name |
Methyl (12R,13R)-12,13-epoxy-labda-8(17),14-dien-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-7-21(5)17(24-21)13-15-14(2)9-10-16-19(15,3)11-8-12-20(16,4)18(22)23-6/h7,15-17H,1-2,8-13H2,3-6H3/t15-,16?,17+,19+,20+,21+/m0/s1 |
| InChIKey |
BONSUUBNVJBPNK-FKFNPBDMSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
[C@]1(O[C@@]1(C[C@@]1([C@@]2(C([C@@](C(=O)OC)(C)CCC2)CCC1=C)C)[H])[H])(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932185 |
