| SpectraBase Spectrum ID |
4bmdbIr4e4f |
| Name |
Altissimacoumarin E |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O8 |
| InChI |
InChI=1S/C21H28O8/c1-20(2)15(29-20)8-9-21(3,24)14(22)11-27-18-13(25-4)10-12-6-7-16(23)28-17(12)19(18)26-5/h6-7,10,14-15,22,24H,8-9,11H2,1-5H3/t14?,15-,21+/m0/s1 |
| InChIKey |
BANQKNDBYSHYOO-LDNOTIAOSA-N |
| Instrument Name |
Micromass QTOF2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300258u |
| Molecular Weight |
408.447 g/mol |
| Optical Rotation |
[a]D25 =+13 (c = 0.1, MeOH) |
| Reported Formula |
C21H28O8 |
| SMILES |
OC([C@](CC[C@@]1(OC1(C)C)[H])(C)O)COc1c(c2c(cc1OC)C=CC(O2)=O)OC |
| SPLASH |
splash10-00dl-0950000000-f5dfc8e685cf15633fb3 |
| Source of Spectrum |
G4-75-1336-3 |
| Wiley ID |
1865643 |
