| SpectraBase Spectrum ID |
5HAxb95Zj6 |
| Name |
1.alpha.,9.beta.-Difuranoyloxy-2-oxo-3-enedihydro-.beta.-agarofuran |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26O8 |
| InChI |
InChI=1S/C25H26O8/c1-14-9-18(26)20(32-22(28)16-6-8-30-13-16)24(4)19(31-21(27)15-5-7-29-12-15)10-17-11-25(14,24)33-23(17,2)3/h5-9,12-13,17,19-20H,10-11H2,1-4H3/t17-,19+,20+,24-,25+/m1/s1 |
| InChIKey |
CZRPXWCWVJAUKP-OFHXDSJMSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900597w |
| Molecular Weight |
454.475 g/mol |
| Optical Rotation |
[a]D20 = +158 (c = 0.11, CHCl3) |
| Reported Formula |
C25H26O8 |
| SMILES |
C1([C@@]([C@@]2([C@@]3(C(=C1)C)C[C@@](C[C@@]2(OC(=O)c1cocc1)[H])(C(O3)(C)C)[H])C)(OC(=O)c1ccoc1)[H])=O |
| SPLASH |
splash10-0udi-0100900000-8e2ab756253d37dfa898 |
| Source of Spectrum |
G4-73-1154-2 |
| Wiley ID |
1848975 |
