| SpectraBase Spectrum ID |
7je9FU17q9M |
| Name |
(1-Acetyloxy-3-hydroxy-6,8A-dimethyl-7-oxo-3-propan-2-yl-2,3A,4,8-tetrahydro-1H-azulen-4-yl) 4-hydroxybenzoate, ac |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.209717982 u |
| Formula |
C26H32O8 |
| InChI |
InChI=1S/C26H32O8/c1-14(2)26(31)13-22(33-17(5)28)25(6)12-20(29)15(3)11-21(23(25)26)34-24(30)18-7-9-19(10-8-18)32-16(4)27/h7-11,14,21-23,31H,12-13H2,1-6H3 |
| InChIKey |
KPURHNGNYGKKJQ-UHFFFAOYSA-N |
| Molecular Weight |
472.534 g/mol |
| SMILES |
C12C(C(CC2(C(C)C)O)OC(=O)C)(CC(C(=CC1OC(=O)C1=CC=C(C=C1)OC(=O)C)C)=O)C |
