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METHYL-11,12-DIHYDROXYABIETA-8,11,13-TRIEN-18-OATE
SpectraBase Compound ID 79qM7eu5jw7
InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,16(13)18(23)17(14)22)9-6-10-21(15,4)19(24)25-5/h11-12,15,22-23H,6-10H2,1-5H3/t15-,20+,21-/m1/s1
InChIKey IENXNFFJRVINGY-GQWLDOHISA-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 CkdXzXPSvxd
Name METHYL-11,12-DIHYDROXYABIETA-8,11,13-TRIEN-18-OATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,16(13)18(23)17(14)22)9-6-10-21(15,4)19(24)25-5/h11-12,15,22-23H,6-10H2,1-5H3/t15-,20+,21-/m1/s1
InChIKey IENXNFFJRVINGY-GQWLDOHISA-N
Literature Reference Author B.GIGANTE,C.SANTOS,A.M.SILVA,M.J.M.CURTO,M.S.J.NASCIMENTO,E. PINTO,M.PEDRO,F.CERQ
Literature Reference Citation BIOORG.MED.CHEM.,11,1631(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00063-4
Molecular Weight 346.467 g/mol
Sample ID 29093
Solvent CDCl3