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EXPANSOL_B;(S)-(+)-2-(3-HYDROXY-4-(2-HYDROXY-6-METHYLHEPTAN-2-YL)-BENZYL)-5-(3-HYDROXY-5-METHYLPHENOXY)-3-METHYLPHENOL
SpectraBase Compound ID 2YShKomQtN4
InChI InChI=1S/C29H36O5/c1-18(2)7-6-10-29(5,33)26-9-8-21(15-28(26)32)14-25-20(4)13-24(17-27(25)31)34-23-12-19(3)11-22(30)16-23/h8-9,11-13,15-18,30-33H,6-7,10,14H2,1-5H3/t29-/m1/s1
InChIKey GGHNFGXGXUVHRJ-GDLZYMKVSA-N
Mol Weight 464.6 g/mol
Molecular Formula C29H36O5
Exact Mass 464.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hf4PfTWynjk
Name EXPANSOL_B;(S)-(+)-2-(3-HYDROXY-4-(2-HYDROXY-6-METHYLHEPTAN-2-YL)-BENZYL)-5-(3-HYDROXY-5-METHYLPHENOXY)-3-METHYLPHENOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-18(2)7-6-10-29(5,33)26-9-8-21(15-28(26)32)14-25-20(4)13-24(17-27(25)31)34-23-12-19(3)11-22(30)16-23/h8-9,11-13,15-18,30-33H,6-7,10,14H2,1-5H3/t29-/m1/s1
InChIKey GGHNFGXGXUVHRJ-GDLZYMKVSA-N
Literature Reference Author Z.LU,H.ZHU,P.FU,Y.WANG,Z.ZHANG,H.LIN,P.LIU,Y.ZHANG,K.HONG,W. ZHU
Literature Reference Citation J.NAT.PROD.,73,911(2010)
Literature Reference DOI 10.1021/np100059m
Molecular Weight 464.602 g/mol
Sample ID 35533
Solvent CDCl3