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EXPANSOL_A;(S)-(+)-2-(3-HYDROXY-4-(2-METHOXY-6-METHYLHEPTAN-2-YL)-BENZYL)-5-(3-HYDROXY-5-METHYLPHENOXY)-3-METHYLPHENOL
SpectraBase Compound ID 6KLv4eOagEP
InChI InChI=1S/C30H38O5/c1-19(2)8-7-11-30(5,34-6)27-10-9-22(16-29(27)33)15-26-21(4)14-25(18-28(26)32)35-24-13-20(3)12-23(31)17-24/h9-10,12-14,16-19,31-33H,7-8,11,15H2,1-6H3/t30-/m1/s1
InChIKey BYIFXAQYMQCOCD-SSEXGKCCSA-N
Mol Weight 478.6 g/mol
Molecular Formula C30H38O5
Exact Mass 478.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lgw4uPOtAxH
Name EXPANSOL_A;(S)-(+)-2-(3-HYDROXY-4-(2-METHOXY-6-METHYLHEPTAN-2-YL)-BENZYL)-5-(3-HYDROXY-5-METHYLPHENOXY)-3-METHYLPHENOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O5
InChI InChI=1S/C30H38O5/c1-19(2)8-7-11-30(5,34-6)27-10-9-22(16-29(27)33)15-26-21(4)14-25(18-28(26)32)35-24-13-20(3)12-23(31)17-24/h9-10,12-14,16-19,31-33H,7-8,11,15H2,1-6H3/t30-/m1/s1
InChIKey BYIFXAQYMQCOCD-SSEXGKCCSA-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 478.629 g/mol
Sample ID 35531
Solvent ACETONE-D6