SpectraBase Compound ID | KQO2v3JCoHA |
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InChI | InChI=1S/C32H40O17/c1-13-21(38)26(44-14(2)35)27(46-19(37)8-5-15-3-6-16(36)7-4-15)31(43-13)47-25-17-9-10-42-29(20(17)32(12-34)28(25)49-32)48-30-24(41)23(40)22(39)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
InChIKey | LHEWQIBORVAWFM-UCTJNKHGSA-N |
Mol Weight | 696.7 g/mol |
Molecular Formula | C32H40O17 |
Exact Mass | 696.22655 g/mol |
SpectraBase Spectrum ID | HkszzXR1zkX |
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Name | 6-O-(3''-ACETYL-2''-PARA-(E)-COUMAROYL-RHAMNOPYRANOSYL)-CATALPOL;OREOSOLENOSIDE |
Compound Number | 6B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C32H40O17 |
InChI | InChI=1S/C32H40O17/c1-13-21(38)26(44-14(2)35)27(46-19(37)8-5-15-3-6-16(36)7-4-15)31(43-13)47-25-17-9-10-42-29(20(17)32(12-34)28(25)49-32)48-30-24(41)23(40)22(39)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30-,31-,32-/m1/s1 |
InChIKey | LHEWQIBORVAWFM-UCTJNKHGSA-N |
Literature Reference Author | S.R.JENSEN,H.Q.LI,D.C.ALBACH,C.H.GOTFREDSEN |
Literature Reference Citation | PHYTOCHEM.,69,2162(2008) |
Literature Reference DOI | 10.1016/j.phytochem.2008.05.010 |
Molecular Weight | 696.659 g/mol |
Sample ID | 63709 |
Solvent | CD3OD |