| SpectraBase Spectrum ID |
LYpHh5jVSOP |
| Name |
[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate, ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.199153299 u |
| Formula |
C20H30O7 |
| InChI |
InChI=1S/C20H30O7/c1-7-12(4)8-17(23)27-20-18(11(2)3)16(26-14(6)22)9-15(19(20)24)10-25-13(5)21/h9,11-12,16,18,20H,7-8,10H2,1-6H3 |
| InChIKey |
ISUPHYFUNISSSS-UHFFFAOYSA-N |
| Molecular Weight |
382.453 g/mol |
| SMILES |
C(CC(CC)C)(=O)OC1C(C(=CC(C1C(C)C)OC(=O)C)COC(=O)C)=O |
![[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate, ac derivative](/api/spectrum/LYpHh5jVSOP/structure.png?h=300&w=458 "[5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate, ac derivative")
