| SpectraBase Spectrum ID |
9AMRDmxBopQ |
| Name |
Altissimacoumarin C |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O7 |
| InChI |
InChI=1S/C21H28O7/c1-13(2)7-6-10-21(3,24)16(22)12-27-19-15(25-4)11-14-8-9-17(23)28-18(14)20(19)26-5/h7-9,11,16,22,24H,6,10,12H2,1-5H3/t16-,21-/m1/s1 |
| InChIKey |
NIDLLNZZMATZKI-IIBYNOLFSA-N |
| Instrument Name |
Micromass QTOF2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300258u |
| Molecular Weight |
392.448 g/mol |
| Optical Rotation |
[a]D25 =+17 (c = 0.1, MeOH) |
| Reported Formula |
C21H28O7 |
| SMILES |
O[C@@]([C@](C)(O)CCC=C(C)C)(COc1c(OC)cc2C=CC(Oc2c1OC)=O)[H] |
| SPLASH |
splash10-0avi-0390000000-69c1caa7ad5faad42890 |
| Source of Spectrum |
G4-75-1335-1 |
| Wiley ID |
1865641 |
