| SpectraBase Spectrum ID |
9SlVU7QYDU1 |
| Name |
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-Acetoxy-1,6,9-tribenzoyloxy-3,4- dihydroxydihydro-.beta.-agarofuran |
| Appearance |
Colorless lacquer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H40O11 |
| InChI |
InChI=1S/C38H40O11/c1-22(39)45-28-29(40)37(5,44)38-30(47-33(42)24-17-11-7-12-18-24)26(35(2,3)49-38)21-27(46-32(41)23-15-9-6-10-16-23)36(38,4)31(28)48-34(43)25-19-13-8-14-20-25/h6-20,26-31,40,44H,21H2,1-5H3/t26-,27-,28+,29-,30+,31-,36+,37-,38+/m0/s1 |
| InChIKey |
DVDRLVPFIGHWDV-PZGXGFFCSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900476a |
| Molecular Weight |
672.727 g/mol |
| Optical Rotation |
[a]D25 = +57.0 (c = 2.2, CHCl3) |
| Reported Formula |
C38H40O11 |
| SMILES |
O[C@]1([C@]([C@@]([C@@]2([C@@]3([C@]1(O)C)[C@@]([C@](C[C@@]2(OC(=O)c1ccccc1)[H])(C(O3)(C)C)[H])(OC(c1ccccc1)=O)[H])C)(OC(c1ccccc1)=O)[H])(OC(C)=O)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-d0027f4ef29f07cbfe64 |
| Source of Spectrum |
G4-73-131-9 |
| Wiley ID |
1846403 |
