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6',7'-DIHYDROXYBERGAMOTTIN_OCTANAL_ACETAL

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6',7'-DIHYDROXYBERGAMOTTIN_OCTANAL_ACETAL
SpectraBase Compound ID F3aJVkH69DL
InChI InChI=1S/C29H38O6/c1-5-6-7-8-9-10-27-34-25(29(3,4)35-27)13-11-20(2)15-17-32-28-21-12-14-26(30)33-24(21)19-23-22(28)16-18-31-23/h12,14-16,18-19,25,27H,5-11,13,17H2,1-4H3/b20-15+/t25-,27?/m0/s1
InChIKey AZUMWAWLOFIGCX-LSLMZWDMSA-N
Mol Weight 482.6 g/mol
Molecular Formula C29H38O6
Exact Mass 482.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtlcJw5JUzy
Name 6',7'-DIHYDROXYBERGAMOTTIN_OCTANAL_ACETAL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O6
InChI InChI=1S/C29H38O6/c1-5-6-7-8-9-10-27-34-25(29(3,4)35-27)13-11-20(2)15-17-32-28-21-12-14-26(30)33-24(21)19-23-22(28)16-18-31-23/h12,14-16,18-19,25,27H,5-11,13,17H2,1-4H3/b20-15+/t25-,27?/m0/s1
InChIKey AZUMWAWLOFIGCX-LSLMZWDMSA-N
Literature Reference Author T.B.CESAR,J.A.MANTHEY,K.MYUNG
Literature Reference Citation J.NAT.PROD.,72,1702(2009)
Literature Reference DOI 10.1021/np900266m
Molecular Weight 482.617 g/mol
Sample ID 33594
Solvent DMSO-D6