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7-BETA,16-DIHYDROXY-DHA;7-BETA,16-DIHYDROXYDEHYDROABIETIC_ACID
SpectraBase Compound ID IhjAoZYVmk5
InChI InChI=1S/C20H28O4/c1-12(11-21)13-5-6-15-14(9-13)16(22)10-17-19(15,2)7-4-8-20(17,3)18(23)24/h5-6,9,12,16-17,21-22H,4,7-8,10-11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1
InChIKey BETVGAOCAIJQOL-QQJWSKILSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74YHLRyFpr3
Name 7-BETA,16-DIHYDROXY-DHA;7-BETA,16-DIHYDROXYDEHYDROABIETIC_ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12(11-21)13-5-6-15-14(9-13)16(22)10-17-19(15,2)7-4-8-20(17,3)18(23)24/h5-6,9,12,16-17,21-22H,4,7-8,10-11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1
InChIKey BETVGAOCAIJQOL-QQJWSKILSA-N
Literature Reference Author T.A.VANBEEK,F.W.CLAASSEN,J.DORADO,M.GODEJOHANN,R.SIERRA-ALVA REZ,J.B.P.A.WIJNBERG
Literature Reference Citation J.NAT.PROD.,70,154(2007)
Literature Reference DOI 10.1021/np060325e
Molecular Weight 332.440 g/mol
Sample ID 29567
Solvent CDCl3:CD3OD