| SpectraBase Spectrum ID |
CXICNGExYs5 |
| Name |
2-Acetoxyglycerol 2,5,5,8A-tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.224974125 u |
| Formula |
C20H32O5 |
| InChI |
InChI=1S/C20H32O5/c1-13-7-8-16-19(3,4)9-6-10-20(16,5)17(13)18(23)24-12-15(11-21)25-14(2)22/h7,15-17,21H,6,8-12H2,1-5H3/t15-,16?,17+,20-/m0/s1 |
| InChIKey |
KCTSCYVGDGWYTO-CJVFLTLBSA-N |
| Molecular Weight |
352.471 g/mol |
| SMILES |
[C@@]12([C@@](C(OC[C@@](OC(=O)C)(CO)[H])=O)(C(C)=CCC2C(C)(C)CCC1)[H])C |
