| SpectraBase Compound ID | 4fuwjzmBIAU |
|---|---|
| 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-NQSTWGMTSA-N |
| Mol Weight | 824.8 g/mol |
| Molecular Formula | C41H44O18 |
| Exact Mass | 824.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmoAwAUPsxQ |
|---|---|
| Name | PICEASIDE-C;ISOMER-(7''-R*,8''-R*) |
| Compound Number | 2A |
| 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-NQSTWGMTSA-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 | 42725 |
| Solvent | CD3OD |