| SpectraBase Spectrum ID |
7M64vjRA0hF |
| Name |
2,4-Pentadienoic acid, 5-[4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, ethyl ester, [1S-[1.alpha.(2E,4E),4.alpha.,6.alpha.]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.193673997 u |
| Formula |
C19H28O5 |
| InChI |
InChI=1S/C19H28O5/c1-7-22-16(21)10-13(2)8-9-19-17(4,5)11-15(23-14(3)20)12-18(19,6)24-19/h8-10,15H,7,11-12H2,1-6H3/b9-8+,13-10+/t15-,18+,19-/m0/s1 |
| InChIKey |
HPSWLAZQSBDDJD-XDVQUFDFSA-N |
| Molecular Weight |
336.428 g/mol |
| SMILES |
[C@@]12([C@](C[C@](CC2(C)C)(OC(=O)C)[H])(C)O1)\C=C\C(=C\C(=O)OCC)C |
![2,4-Pentadienoic acid, 5-[4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, ethyl ester, [1S-[1.alpha.(2E,4E),4.alpha.,6.alpha.]]-](/api/spectrum/7M64vjRA0hF/structure.png?h=300&w=458 "2,4-Pentadienoic acid, 5-[4-(acetyloxy)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, ethyl ester, [1S-[1.alpha.(2E,4E),4.alpha.,6.alpha.]]-")
