| SpectraBase Spectrum ID |
B1b8lO6gdN2 |
| Name |
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2,3-Diacetoxy-1-benzoyloxy-9-trans-cinnamoyloxy-4,6-dihydroxydihydro-.beta.-agarofuran |
| Appearance |
Colorless lacquer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H40O11 |
| InChI |
InChI=1S/C35H40O11/c1-20(36)42-27-29(45-31(40)23-15-11-8-12-16-23)33(5)25(44-26(38)18-17-22-13-9-7-10-14-22)19-24-28(39)35(33,46-32(24,3)4)34(6,41)30(27)43-21(2)37/h7-18,24-25,27-30,39,41H,19H2,1-6H3/b18-17+/t24-,25-,27-,28+,29-,30-,33+,34-,35+/m0/s1 |
| InChIKey |
NNIHOVDDAZGURH-LQBRFHIISA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900476a |
| Molecular Weight |
636.694 g/mol |
| Optical Rotation |
[a]D25 = +111.5 (c = 0.9, CHCl3) |
| Reported Formula |
C35H40O11 |
| SMILES |
O[C@]1([C@]([C@]([C@@]([C@]2([C@](C[C@]3([C@]([C@]12OC3(C)C)(O)[H])[H])(OC(=O)\C=C\c1ccccc1)[H])C)(OC(c1ccccc1)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])C |
| SPLASH |
splash10-053r-0900001000-0e3f6116a1c61e5c2723 |
| Source of Spectrum |
G4-73-131-7 |
| Wiley ID |
1846401 |
