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DEHYDROABIETIC_ACID-7-ALPHA,16-TRIHYDROXY-DHA;1-BETA,7-ALPHA,16-TRIHYDROXYDEHYDROABIETIC_ACID
SpectraBase Compound ID 2YeCNyIQtaA
InChI InChI=1S/C20H28O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16+,17-,19-,20-/m1/s1
InChIKey UDBCKSBBABXXHY-SBHXCJRJSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YZOm7x4Vjx
Name DEHYDROABIETIC_ACID-7-ALPHA,16-TRIHYDROXY-DHA;1-BETA,7-ALPHA,16-TRIHYDROXYDEHYDROABIETIC_ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16+,17-,19-,20-/m1/s1
InChIKey UDBCKSBBABXXHY-SBHXCJRJSA-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 348.439 g/mol
Sample ID 29570
Solvent CD3CN:D2O