| SpectraBase Spectrum ID |
AtNoGj2AV8l |
| Name |
Altissimacoumarin F |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O7 |
| InChI |
InChI=1S/C21H26O7/c1-11(2)8-16-18(27-16)12(3)14(22)10-26-20-15(24-4)9-13-6-7-17(23)28-19(13)21(20)25-5/h6-9,12,14,16,18,22H,10H2,1-5H3/t12-,14+,16+,18-/m1/s1 |
| InChIKey |
INDVJVFRQZLXKM-BSXOQXRQSA-N |
| Instrument Name |
Micromass QTOF2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300258u |
| Molecular Weight |
390.432 g/mol |
| Optical Rotation |
[a]D25 =+12 (c = 0.1, MeOH) |
| Reported Formula |
C21H26O7 |
| SMILES |
O[C@@](COc1c(cc2c(c1OC)OC(C=C2)=O)OC)([C@]([C@@]1([C@](C=C(C)C)(O1)[H])[H])(C)[H])[H] |
| SPLASH |
splash10-0fkc-0495000000-4cfa518bd1a54df6d348 |
| Source of Spectrum |
G4-75-1336-4 |
| Wiley ID |
1865644 |
