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AQUILARABIETIC_ACID_H;7-ALPHA-HYDROXYABIETA-8,11,13,15-TETRAEN-18-OIC_ACID
SpectraBase Compound ID L2IWzfxpeRi
InChI InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17-,19-,20+/m1/s1
InChIKey AXKQOCLPWRXCRI-LFGUQSLTSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATVEHvfmYjK
Name AQUILARABIETIC_ACID_H;7-ALPHA-HYDROXYABIETA-8,11,13,15-TETRAEN-18-OIC_ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,16-17,21H,1,5,8-9,11H2,2-4H3,(H,22,23)/t16-,17-,19-,20+/m1/s1
InChIKey AXKQOCLPWRXCRI-LFGUQSLTSA-N
Literature Reference Author L.YANG,L.QIAO,C.JI,D.XIE,N.B.GONG,Y.LU,J.ZHANG,J.DAI,S.GUO
Literature Reference Citation J.NAT.PROD.,76,216(2013)
Literature Reference DOI 10.1021/np3006925
Molecular Weight 314.425 g/mol
Sample ID 42159
Solvent CD3OD