| SpectraBase Spectrum ID |
Kak2mU05445 |
| Name |
(1R,2S,3S,4S,5R,7R,9S,10R)-2-Acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-.beta.-agarofuran |
| Appearance |
Colorless lacquer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H38O9 |
| InChI |
InChI=1S/C33H38O9/c1-20(34)39-26-27(36)32(5,38)33-19-23(30(2,3)42-33)18-24(40-25(35)17-16-21-12-8-6-9-13-21)31(33,4)28(26)41-29(37)22-14-10-7-11-15-22/h6-17,23-24,26-28,36,38H,18-19H2,1-5H3/b17-16-/t23-,24+,26-,27+,28+,31-,32+,33-/m1/s1 |
| InChIKey |
VGUVQKDLHHRXNF-DYOPMDRGSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900476a |
| Molecular Weight |
578.658 g/mol |
| Optical Rotation |
[a]D25 = +20.7 (c = 0.2, CHCl3) |
| Reported Formula |
C33H38O9 |
| SMILES |
O[C@]1([C@]([C@@]([C@@]2([C@@]3([C@]1(O)C)C[C@@](C[C@@]2(OC(=O)\C=C/c1ccccc1)[H])(C(O3)(C)C)[H])C)(OC(c1ccccc1)=O)[H])(OC(C)=O)[H])[H] |
| SPLASH |
splash10-0a4i-1900010000-56b59d69ed886391c293 |
| Source of Spectrum |
G4-73-131-4 |
| Wiley ID |
1846400 |
