| SpectraBase Spectrum ID |
BGi4nGfcZL7 |
| Name |
(+)-Crassalactone A |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O6 |
| InChI |
InChI=1S/C22H20O6/c23-18(13-11-15-7-3-1-4-8-15)27-17-12-14-19(24)28-22(17)21(26)20(25)16-9-5-2-6-10-16/h1-14,17,20-22,25-26H/b13-11+/t17-,20+,21+,22+/m0/s1 |
| InChIKey |
GWFOGXDMANDIHC-VTWBULIDSA-N |
| Instrument Name |
Thermo Finnigan Polaris Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060323u |
| Molecular Weight |
380.396 g/mol |
| Optical Rotation |
[a]D28 = +326.0 (c = 0.1, CHCl3), [a]D30 = +329.6 (c = 0.5, EtOH) |
| SMILES |
O[C@@]([C@]([C@]1([C@](C=CC(O1)=O)(OC(\C=C\c1ccccc1)=O)[H])[H])(O)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-003r-0900000000-c3a037e3f52d6030f583 |
| Source of Spectrum |
G4-69-1731-1 |
| Wiley ID |
1874028 |
