| SpectraBase Spectrum ID |
ESBYDCLIwwL |
| Name |
9-Acetoxy-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-F]chromen-10-yl 3-methylbutanoate (9R,10R) (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.152203106 u |
| Formula |
C21H24O7 |
| InChI |
InChI=1S/C21H24O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1 |
| InChIKey |
KLUTZDJBVDPOFE-WOJBJXKFSA-N |
| Molecular Weight |
388.416 g/mol |
| SMILES |
C(CC(C)C)(=O)O[C@]1([C@](C(OC=2C1=C1C(=CC2)C=CC(O1)=O)(C)C)(OC(=O)C)[H])[H] |
![9-Acetoxy-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-F]chromen-10-yl 3-methylbutanoate (9R,10R) (isomer 1)](/api/spectrum/ESBYDCLIwwL/structure.png?h=300&w=458 "9-Acetoxy-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-F]chromen-10-yl 3-methylbutanoate (9R,10R) (isomer 1)")
