| SpectraBase Spectrum ID |
57Rks79vZw |
| Name |
(1R,2S,3S,4S,5R,7R,9S,10R)-2,3-Diacetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-4-hydroxydihydro-.beta.-agarofuran |
| Appearance |
Colorless lacquer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H40O10 |
| InChI |
InChI=1S/C35H40O10/c1-21(36)41-28-29(44-31(39)24-15-11-8-12-16-24)33(5)26(43-27(38)18-17-23-13-9-7-10-14-23)19-25-20-35(33,45-32(25,3)4)34(6,40)30(28)42-22(2)37/h7-18,25-26,28-30,40H,19-20H2,1-6H3/b18-17-/t25-,26+,28+,29+,30+,33-,34+,35-/m1/s1 |
| InChIKey |
QDISWXTVLYHRCQ-NJVBHSBISA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900476a |
| Molecular Weight |
620.695 g/mol |
| Optical Rotation |
[a]D25 = +20.4 (c = 0.3, CHCl3) |
| Reported Formula |
C35H40O10 |
| SMILES |
O[C@@]1([C@]23[C@@]([C@]([C@@]([C@@]1(OC(=O)C)[H])(OC(C)=O)[H])(OC(c1ccccc1)=O)[H])([C@](C[C@](C2)(C(O3)(C)C)[H])(OC(=O)\C=C/c1ccccc1)[H])C)C |
| SPLASH |
splash10-0a59-0900100000-3db4306fcc579464bcdd |
| Source of Spectrum |
G4-73-131-3 |
| Wiley ID |
1846399 |
