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MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 7fcDAV3rGgU
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)55-21)54-39-33(49)34(59-38-32(48)30(46)27(43)23(17-41)57-38)28(44)24(58-39)18-53-37-31(47)29(45)26(42)22(16-40)56-37/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 VSJRXLOWUQCCQE-SZEHWKLHSA-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 3wycgWAOpbh
Name MUROLIC-ACID-(18R)-18-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
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)55-21)54-39-33(49)34(59-38-32(48)30(46)27(43)23(17-41)57-38)28(44)24(58-39)18-53-37-31(47)29(45)26(42)22(16-40)56-37/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 VSJRXLOWUQCCQE-SZEHWKLHSA-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 UWVN1708