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ISOLIGUSTROSIDIC ACID
SpectraBase Compound ID D1xevp37Xfc
InChI InChI=1S/C25H30O14/c1-35-23(34)16-11-37-24(39-25-22(33)21(32)20(31)17(10-26)38-25)15(14(16)8-18(28)29)9-19(30)36-7-6-12-2-4-13(27)5-3-12/h2-5,9,11,14,17,20-22,24-27,31-33H,6-8,10H2,1H3,(H,28,29)/b15-9+/t14-,17-,20-,21+,22-,24-,25+/m0/s1
InChIKey BSVGPPPZJUYLEA-LFFJPWSWSA-N
Mol Weight 554.5 g/mol
Molecular Formula C25H30O14
Exact Mass 554.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70dpbjabvT9
Name ISOLIGUSTROSIDIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O14
InChI InChI=1S/C25H30O14/c1-35-23(34)16-11-37-24(39-25-22(33)21(32)20(31)17(10-26)38-25)15(14(16)8-18(28)29)9-19(30)36-7-6-12-2-4-13(27)5-3-12/h2-5,9,11,14,17,20-22,24-27,31-33H,6-8,10H2,1H3,(H,28,29)/b15-9+/t14-,17-,20-,21+,22-,24-,25+/m0/s1
InChIKey BSVGPPPZJUYLEA-LFFJPWSWSA-N
Literature Reference Author S.AOKI,Y.HONDA,T.KIKUCHI,T.MIURA,R.SUGAWARA,Y.YAOITA,M.KIKUC HI,K.MACHIDA
Literature Reference Citation CHEM.PHARM.BULL.,60,251(2012)
Literature Reference DOI 10.1248/cpb.60.251
Molecular Weight 554.505 g/mol
Source File Reference UWBT4281