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12-Hydroxydehydro-Abietic Acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

12-Hydroxydehydro-Abietic Acid
SpectraBase Compound ID 3y2HXSgzzT7
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17?,19-,20-/m1/s1
InChIKey AYDJDNNMKHXZOQ-IPNZSQQUSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hlj4NLQVEti
Name 12-HYDROXYDEHYDROABIETIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17?,19-,20-/m1/s1
InChIKey AYDJDNNMKHXZOQ-IPNZSQQUSA-N
Literature Reference Author Y.KINOUCHI,H.OHTSU,H.TOKUDA,H.NISHINO,S.MATSUNAGA,R.TANAKA
Literature Reference Citation J.NAT.PROD.,63,817(2000)
Literature Reference DOI 10.1021/np0000217
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWRU8274