| SpectraBase Spectrum ID |
7VnMdUarIMF |
| Name |
2-Methylbut-(2Z)-enoic acid (3R)-5-methoxy-3,4-dihydro-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl ester |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-7-11(2)20(23)26-17-9-13-15(27-21(17,4)5)10-16-18(19(13)24-6)14(22)8-12(3)25-16/h7-8,10,17H,9H2,1-6H3/t17-/m1/s1 |
| InChIKey |
QNOQNIIIQHXDAV-QGZVFWFLSA-N |
| Instrument Name |
JEOL JMS-AX505HA |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np010448t |
| Molecular Weight |
372.417 g/mol |
| Optical Rotation |
[a]D20 = +340 (c = 1, CHCl3) |
| SMILES |
c12cc3c(c(c2C[C@](C(O1)(C)C)(OC(=O)C(C)=CC)[H])OC)C(C=C(O3)C)=O |
| SPLASH |
splash10-0pe9-0190000000-0cc1fe7c44a53fdd2978 |
| Source of Spectrum |
G4-65-SM27-11 |
| Wiley ID |
1883675 |
![2-Methylbut-(2Z)-enoic acid (3R)-5-methoxy-3,4-dihydro-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl ester](/api/spectrum/7VnMdUarIMF/structure.png?h=300&w=458 "2-Methylbut-(2Z)-enoic acid (3R)-5-methoxy-3,4-dihydro-2,2,8-trimethyl-6-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl ester")
