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ALPHA-BISABOLOL-2,3,4-TRI-O-BENZOYL-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID 1wWcVpjaCoC
InChI InChI=1S/C41H46O8/c1-28(2)15-14-26-41(4,33-24-22-29(3)23-25-33)49-40-36(48-39(44)32-20-12-7-13-21-32)35(47-38(43)31-18-10-6-11-19-31)34(27-45-40)46-37(42)30-16-8-5-9-17-30/h5-13,15-22,33-36,40H,14,23-27H2,1-4H3/t33-,34-,35+,36-,40+,41-/m0/s1
InChIKey YLCKHYHZRSWDPO-LGZSATTMSA-N
Mol Weight 666.8 g/mol
Molecular Formula C41H46O8
Exact Mass 666.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eagfgJdR5w
Name ALPHA-BISABOLOL-2,3,4-TRI-O-BENZOYL-BETA-D-XYLOPYRANOSIDE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H46O8
InChI InChI=1S/C41H46O8/c1-28(2)15-14-26-41(4,33-24-22-29(3)23-25-33)49-40-36(48-39(44)32-20-12-7-13-21-32)35(47-38(43)31-18-10-6-11-19-31)34(27-45-40)46-37(42)30-16-8-5-9-17-30/h5-13,15-22,33-36,40H,14,23-27H2,1-4H3/t33-,34-,35+,36-,40+,41-/m0/s1
InChIKey YLCKHYHZRSWDPO-LGZSATTMSA-N
Literature Reference Author M.PIOCHON,J.LEGAULT,C.GAUTHIER,A.PICHETTE
Literature Reference Citation PHYTOCHEM.,70,228(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.11.013
Molecular Weight 666.811 g/mol
Sample ID 63981
Solvent CDCl3