| SpectraBase Spectrum ID |
FuRrX2ynmn5 |
| Name |
Aciculatinone |
| Appearance |
Light yellow prisms |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,18,21,23,25,27H,9H2,1-2H3/t10-,18-,21-/m1/s1 |
| InChIKey |
CFHMTDWOLGJZEJ-LMCQJGHKSA-N |
| Instrument Name |
Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np2007796 |
| Molecular Weight |
412.394 g/mol |
| Optical Rotation |
[a]D = +62 (c = 0.27, MeOH) |
| Reported Formula |
C22H20O8 |
| SMILES |
O[C@@]1([C@](O[C@@](c2c(cc(c3c2OC(=CC3=O)c2ccc(cc2)O)O)OC)(CC1=O)[H])(C)[H])[H] |
| SPLASH |
splash10-066s-9873300000-c667819a10c349190bb9 |
| Source of Spectrum |
G4-75-200-3 |
| Wiley ID |
1854760 |
