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SENBURISIDE_II;7-EPI-(DI-META-HYDROXYBENZOYL)-LOGANIC_ACID
SpectraBase Compound ID 4KEov8OseFR
InChI InChI=1S/C30H32O14/c1-13-20(42-28(39)15-5-3-7-17(9-15)41-27(38)14-4-2-6-16(32)8-14)10-18-19(26(36)37)12-40-29(22(13)18)44-30-25(35)24(34)23(33)21(11-31)43-30/h2-9,12-13,18,20-25,29-35H,10-11H2,1H3,(H,36,37)/t13?,18-,20-,21+,22-,23+,24-,25+,29+,30-/m1/s1
InChIKey NEICHVDTJPKDLU-DXVRARQOSA-N
Mol Weight 616.6 g/mol
Molecular Formula C30H32O14
Exact Mass 616.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2eeScUQJBu
Name SENBURISIDE_II;7-EPI-(DI-META-HYDROXYBENZOYL)-LOGANIC_ACID
Compound Number 182
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32O14
InChI InChI=1S/C30H32O14/c1-13-20(42-28(39)15-5-3-7-17(9-15)41-27(38)14-4-2-6-16(32)8-14)10-18-19(26(36)37)12-40-29(22(13)18)44-30-25(35)24(34)23(33)21(11-31)43-30/h2-9,12-13,18,20-25,29-35H,10-11H2,1H3,(H,36,37)/t13?,18-,20-,21+,22-,23+,24-,25+,29+,30-/m1/s1
InChIKey NEICHVDTJPKDLU-DXVRARQOSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 616.576 g/mol
Solvent C5D5N
Source File Reference UWMZ16165