SpectraBase Spectrum ID |
4oywpKMsTnU |
Name |
(1R,2S,3S,4S,5R,7R,9S,10R)-2-Acetoxy-1-benzoyloxy-9-trans-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-SQFMQKTMSA-N |
Instrument Name |
Micromass Autospec |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np900476a |
Molecular Weight |
578.658 g/mol |
Optical Rotation |
[a]D25 = +112.7 (c = 1.6, 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 |
splash10-053r-0900010000-f4ba0d950fa122b58bd5 |
Source of Spectrum |
G4-73-130-2 |
Wiley ID |
1846398 |