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6',7'-DIHYDROXYBERGAMOTTIN_DECANAL_ACETAL

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6',7'-DIHYDROXYBERGAMOTTIN_DECANAL_ACETAL
SpectraBase Compound ID IEaEHEiYvq8
InChI InChI=1S/C31H42O6/c1-5-6-7-8-9-10-11-12-29-36-27(31(3,4)37-29)15-13-22(2)17-19-34-30-23-14-16-28(32)35-26(23)21-25-24(30)18-20-33-25/h14,16-18,20-21,27,29H,5-13,15,19H2,1-4H3/b22-17+/t27-,29?/m0/s1
InChIKey GAAPAEWIPWJVMW-JCYNJFNXSA-N
Mol Weight 510.7 g/mol
Molecular Formula C31H42O6
Exact Mass 510.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Wi9GRgoZaA
Name 6',7'-DIHYDROXYBERGAMOTTIN_DECANAL_ACETAL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O6
InChI InChI=1S/C31H42O6/c1-5-6-7-8-9-10-11-12-29-36-27(31(3,4)37-29)15-13-22(2)17-19-34-30-23-14-16-28(32)35-26(23)21-25-24(30)18-20-33-25/h14,16-18,20-21,27,29H,5-13,15,19H2,1-4H3/b22-17+/t27-,29?/m0/s1
InChIKey GAAPAEWIPWJVMW-JCYNJFNXSA-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 510.671 g/mol
Sample ID 33595
Solvent DMSO-D6