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AQUILARABIETIC_ACID_J;12-ALPHA-ETHOXYABIETA-7,13-DIEN-18-OIC_ACID
SpectraBase Compound ID CNEkztcUPxd
InChI InChI=1S/C22H34O3/c1-6-25-18-13-17-15(12-16(18)14(2)3)8-9-19-21(17,4)10-7-11-22(19,5)20(23)24/h8,12,14,17-19H,6-7,9-11,13H2,1-5H3,(H,23,24)/t17-,18-,19+,21+,22-/m0/s1
InChIKey SEYOTWWUZJJIRX-XUJOWKJQSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSpGRSSvpGq
Name AQUILARABIETIC_ACID_J;12-ALPHA-ETHOXYABIETA-7,13-DIEN-18-OIC_ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-6-25-18-13-17-15(12-16(18)14(2)3)8-9-19-21(17,4)10-7-11-22(19,5)20(23)24/h8,12,14,17-19H,6-7,9-11,13H2,1-5H3,(H,23,24)/t17-,18-,19+,21+,22-/m0/s1
InChIKey SEYOTWWUZJJIRX-XUJOWKJQSA-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 346.510 g/mol
Sample ID 42161
Solvent CDCl3