John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BEkZ38cjeEX SpectraBase Spectrum ID=2aah4YLP4EH

(accessed ).
2-HYDROXYTHYMOL-3-O-(4-O-ANGELOYL-BETA-D-FUCOPYRANOSYL)-(1->3)-(4-O-ANGELOYL-2-O-ISOVALERYL)-BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID BEkZ38cjeEX
InChI InChI=1S/C37H54O13/c1-12-19(7)34(42)47-29-22(10)44-36(28(41)27(29)40)50-32-30(48-35(43)20(8)13-2)23(11)45-37(33(32)46-25(38)16-17(3)4)49-31-24(18(5)6)15-14-21(9)26(31)39/h12-15,17-18,22-23,27-30,32-33,36-37,39-41H,16H2,1-11H3/b19-12-,20-13-/t22-,23-,27-,28-,29+,30+,32+,33-,36+,37+/m1/s1
InChIKey GAWVIFWBUQHFJM-JLZBGFAISA-N
Mol Weight 706.8 g/mol
Molecular Formula C37H54O13
Exact Mass 706.356442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aah4YLP4EH
Name 2-HYDROXYTHYMOL-3-O-(4-O-ANGELOYL-BETA-D-FUCOPYRANOSYL)-(1->3)-(4-O-ANGELOYL-2-O-ISOVALERYL)-BETA-D-FUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H54O13
InChI InChI=1S/C37H54O13/c1-12-19(7)34(42)47-29-22(10)44-36(28(41)27(29)40)50-32-30(48-35(43)20(8)13-2)23(11)45-37(33(32)46-25(38)16-17(3)4)49-31-24(18(5)6)15-14-21(9)26(31)39/h12-15,17-18,22-23,27-30,32-33,36-37,39-41H,16H2,1-11H3/b19-12-,20-13-/t22-,23-,27-,28-,29+,30+,32+,33-,36+,37+/m1/s1
InChIKey GAWVIFWBUQHFJM-JLZBGFAISA-N
Literature Reference Author J.HUETHER,C.M.PASSREITER,V.WRAY,G.WILLUHN
Literature Reference Citation PHYTOCHEM.,51,979(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00700-6
Molecular Weight 706.828 g/mol
Solvent CDCl3
Source File Reference UWVN958
SpectraBase Batch ID AZpiBkm8GMs