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3-O-GLUCURONOPYRANOSYL-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID CrNdlG1tgaa
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,39+,40-,41-,42?/m1/s1
InChIKey YOSRLTNUOCHBEA-IQSRYPNZSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJRfDK593Qq
Name 3-O-GLUCURONOPYRANOSYL-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,39+,40-,41-,42?/m1/s1
InChIKey YOSRLTNUOCHBEA-IQSRYPNZSA-N
Literature Reference Author S.D.ROSA,C.IODICE,M.MITOVA,N.HANDJIEVA,S.POPOV,M.ANCHEV
Literature Reference Citation PHYTOCHEM.,54,751(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00149-7
Molecular Weight 794.978 g/mol
Solvent C5D5N
Source File Reference UWLU1443