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AQUILARABIETIC_ACID_I;7-ALPHA-HYDROXYABIETA-15-METHOXY-8,11,13-TRIEN-18-OIC_ACID
SpectraBase Compound ID 9Gryv5Wjuq0
InChI InChI=1S/C21H30O4/c1-19(2,25-5)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)24/h7-8,11,16-17,22H,6,9-10,12H2,1-5H3,(H,23,24)/t16-,17-,20-,21+/m1/s1
InChIKey YEXGDORSPJNFAG-DGQTTZFYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I17a0VdAh8y
Name AQUILARABIETIC_ACID_I;7-ALPHA-HYDROXYABIETA-15-METHOXY-8,11,13-TRIEN-18-OIC_ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-19(2,25-5)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)24/h7-8,11,16-17,22H,6,9-10,12H2,1-5H3,(H,23,24)/t16-,17-,20-,21+/m1/s1
InChIKey YEXGDORSPJNFAG-DGQTTZFYSA-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 346.467 g/mol
Sample ID 42160
Solvent CD3OD