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ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JmBRLprrOE8
InChI InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34+,37-,38+,39+/m1/s1
InChIKey MKURTYXIKASPFJ-ZXUCDDFQSA-N
Mol Weight 854.9 g/mol
Molecular Formula C39H66O20
Exact Mass 854.414745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pFqFUHC9t5
Name ALLO-MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H66O20
InChI InChI=1S/C39H66O20/c1-19(14-12-10-8-6-4-3-5-7-9-11-13-15-21-25(35(50)51)20(2)36(52)54-21)53-39-34(59-38-32(49)30(47)27(44)23(17-41)56-38)33(28(45)24(18-42)57-39)58-37-31(48)29(46)26(43)22(16-40)55-37/h19,21-34,37-49H,2-18H2,1H3,(H,50,51)/t19-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34+,37-,38+,39+/m1/s1
InChIKey MKURTYXIKASPFJ-ZXUCDDFQSA-N
Literature Reference Author T.REZANKA,I.A.GUSCHINA
Literature Reference Citation PHYTOCHEM.,56,181(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00372-1
Molecular Weight 854.941 g/mol
Solvent Unknown
Source File Reference UWVN1705