| SpectraBase Spectrum ID |
BbVLLhxWagl |
| Name |
2-[5-[(3Z,6Z)-2,12-Dihydroxydodeca-3,6-dienyl]oxolan-2-yl]acetic acid, 3tms |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.327904439 u |
| Formula |
C27H54O5Si3 |
| InChI |
InChI=1S/C27H54O5Si3/c1-33(2,3)29-21-17-15-13-11-10-12-14-16-18-26(31-34(4,5)6)22-24-19-20-25(30-24)23-27(28)32-35(7,8)9/h10,12,16,18,24-26H,11,13-15,17,19-23H2,1-9H3/b12-10-,18-16- |
| InChIKey |
XGVSGISTUFVVTQ-XOMYGGGSSA-N |
| Molecular Weight |
542.979 g/mol |
| SMILES |
C[Si](C)(C)OC(=O)CC1OC(CC(O[Si](C)(C)C)\C=C/C\C=C/CCCCCO[Si](C)(C)C)CC1 |
![2-[5-[(3Z,6Z)-2,12-Dihydroxydodeca-3,6-dienyl]oxolan-2-yl]acetic acid, 3tms](/api/spectrum/BbVLLhxWagl/structure.png?h=300&w=458 "2-[5-[(3Z,6Z)-2,12-Dihydroxydodeca-3,6-dienyl]oxolan-2-yl]acetic acid, 3tms")
