| SpectraBase Compound ID | L5PvSM3Bthc |
|---|---|
| InChI | InChI=1S/C40H42O18/c41-14-28-31(48)33(50)35(52)39(56-28)54-22-6-16(5-20(43)12-22)1-2-17-7-24-30(37(58-38(24)27(47)8-17)18-3-4-25(45)26(46)11-18)19-9-21(44)13-23(10-19)55-40-36(53)34(51)32(49)29(15-42)57-40/h1-13,28-37,39-53H,14-15H2/b2-1+/t28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,39-,40+/m0/s1 |
| InChIKey | KUGWVJKBPZXTOX-VJPJTVDHSA-N |
| Mol Weight | 810.8 g/mol |
| Molecular Formula | C40H42O18 |
| Exact Mass | 810.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kADFywOkCN |
|---|---|
| Name | PICEASIDE-B;ISOMER-(7''-S*,8''-S*) |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O18 |
| InChI | InChI=1S/C40H42O18/c41-14-28-31(48)33(50)35(52)39(56-28)54-22-6-16(5-20(43)12-22)1-2-17-7-24-30(37(58-38(24)27(47)8-17)18-3-4-25(45)26(46)11-18)19-9-21(44)13-23(10-19)55-40-36(53)34(51)32(49)29(15-42)57-40/h1-13,28-37,39-53H,14-15H2/b2-1+/t28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,39-,40+/m0/s1 |
| InChIKey | KUGWVJKBPZXTOX-VJPJTVDHSA-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 | 810.763 g/mol |
| Sample ID | 42724 |
| Solvent | CD3OD |