| SpectraBase Spectrum ID |
Gx2zGKAVLLs |
| Name |
Altissimacoumarin D |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/c1-14(2)7-6-8-15(3)11-12-25-20-17(23-4)13-16-9-10-18(22)26-19(16)21(20)24-5/h7,9-11,13H,6,8,12H2,1-5H3/b15-11+ |
| InChIKey |
GEBSUJHFARTCMC-RVDMUPIBSA-N |
| Instrument Name |
Micromass QTOF2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300258u |
| Molecular Weight |
358.434 g/mol |
| Optical Rotation |
[a]D25 = 0.0 (c = 0.1, MeOH) |
| Reported Formula |
C21H26O5 |
| SMILES |
c1(cc2c(c(c1OC\C=C\(CCC=C(C)C)C)OC)OC(C=C2)=O)OC |
| SPLASH |
splash10-00di-0290000000-3346ecd5c0463c49cdc5 |
| Source of Spectrum |
G4-75-1335-2 |
| Wiley ID |
1865642 |
