John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=It0TSjJEJ4g SpectraBase Spectrum ID=1kb3MkhBF00

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MALAYSIANOL-A
SpectraBase Compound ID It0TSjJEJ4g
InChI InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(51-42(26-17-32(48)20-33(49)18-26)37(39)23-4-10-28(44)11-5-23)21-36-40(34)38(25-15-30(46)19-31(47)16-25)41(50-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41+,42-/m1/s1
InChIKey YEMQLGRGYHYCQL-WLNRRRAYSA-N
Mol Weight 680.7 g/mol
Molecular Formula C42H32O9
Exact Mass 680.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kb3MkhBF00
Name MALAYSIANOL-A
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H32O9
InChI InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(51-42(26-17-32(48)20-33(49)18-26)37(39)23-4-10-28(44)11-5-23)21-36-40(34)38(25-15-30(46)19-31(47)16-25)41(50-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41+,42-/m1/s1
InChIKey YEMQLGRGYHYCQL-WLNRRRAYSA-N
Literature Reference Author A.WIBOWA,N.AHMAT,A.S.HAMZAH,A.S.SUFIAN,N.H.ISMAIL,R.AHMAD,F. N.JAAFAR,H.TAKAYAMA
Literature Reference Citation FITOTERAPIA,82,676(2011)
Literature Reference DOI 10.1016/j.fitote.2011.02.006
Molecular Weight 680.711 g/mol
Solvent ACETONE-D6
Source File Reference UWDB1024
SpectraBase Batch ID JycFjsBNoeQ