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TRANS-GNETIN-H

View entire compound with spectra: 2 NMR

TRANS-GNETIN-H
SpectraBase Compound ID Fxmjm2MdIBh
InChI InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41+,42+/m0/s1
InChIKey PHIHHTIYURVLDB-JPZOQBBBSA-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 KMWKNdZqUYf
Name TRANS-GNETIN-H
Compound Number 6
Copyright Copyright © 2016-2024 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(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3+/t37-,38-,41+,42+/m0/s1
InChIKey PHIHHTIYURVLDB-JPZOQBBBSA-N
Literature Reference Author C.N.HE,L.J.XU,Z.A.LIU,J.GU,A.G.ZHONG,P.G.XIAO
Literature Reference Citation CHEM.PHARM.BULL.,58,843(2010)
Literature Reference DOI 10.1248/cpb.58.843
Molecular Weight 680.711 g/mol
Source File Reference UWBT3667