SpectraBase Compound ID | IGHHaOI8ZVn |
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InChI | InChI=1S/C41H44O18/c1-54-28-12-19(4-5-26(28)46)38-31(20-10-22(45)14-24(11-20)56-41-37(53)35(51)33(49)30(16-43)58-41)25-8-18(9-27(47)39(25)59-38)3-2-17-6-21(44)13-23(7-17)55-40-36(52)34(50)32(48)29(15-42)57-40/h2-14,29-38,40-53H,15-16H2,1H3/b3-2+/t29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,40-,41+/m0/s1 |
InChIKey | FOHVMOBGAZXASK-NPVVUQMDSA-N |
Mol Weight | 824.8 g/mol |
Molecular Formula | C41H44O18 |
Exact Mass | 824.252765 g/mol |
SpectraBase Spectrum ID | HDOGCsI5ZwY |
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Name | PICEASIDE-D;ISOMER-(7''-S*,8''-S*) |
Compound Number | 2B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C41H44O18 |
InChI | InChI=1S/C41H44O18/c1-54-28-12-19(4-5-26(28)46)38-31(20-10-22(45)14-24(11-20)56-41-37(53)35(51)33(49)30(16-43)58-41)25-8-18(9-27(47)39(25)59-38)3-2-17-6-21(44)13-23(7-17)55-40-36(52)34(50)32(48)29(15-42)57-40/h2-14,29-38,40-53H,15-16H2,1H3/b3-2+/t29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,40-,41+/m0/s1 |
InChIKey | FOHVMOBGAZXASK-NPVVUQMDSA-N |
Literature Reference Author | S.H.LI,X.M.NIU,S.ZAHN,J.GERSHENZON,J.WESTON,B.SCHNEIDER |
Literature Reference Citation | PHYTOCHEM.,69,772(2008) |
Literature Reference DOI | 10.1016/j.phytochem.2007.08.033 |
Molecular Weight | 824.790 g/mol |
Sample ID | 42726 |
Solvent | CD3OD |