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METHYL-14-XI,15-EPOXY-3-BETA-HYDROXY-8(17),(12E)-LABDADIEN-16-OATE
SpectraBase Compound ID Au573wYQvic
InChI InChI=1S/C21H32O4/c1-13-6-9-17-20(2,3)18(22)10-11-21(17,4)15(13)8-7-14(16-12-25-16)19(23)24-5/h7,15-18,22H,1,6,8-12H2,2-5H3/b14-7+/t15-,16?,17-,18-,21+/m0/s1
InChIKey SMMODFYAPGMQAN-WATQHHEYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CV8zeGVwiyF
Name METHYL-14-XI,15-EPOXY-3-BETA-HYDROXY-8(17),(12E)-LABDADIEN-16-OATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-13-6-9-17-20(2,3)18(22)10-11-21(17,4)15(13)8-7-14(16-12-25-16)19(23)24-5/h7,15-18,22H,1,6,8-12H2,2-5H3/b14-7+/t15-,16?,17-,18-,21+/m0/s1
InChIKey SMMODFYAPGMQAN-WATQHHEYSA-N
Literature Reference Author M.KENMOGNE,E.PROST,D.HARAKAT,M.J.JACQUIER,M.FREDERICH,L.B.SO NDENGAM,M.ZECHES,P.W
Literature Reference Citation PHYTOCHEM.,67,433(2006)
Literature Reference DOI 10.1016/j.phytochem.2005.10.015
Molecular Weight 348.483 g/mol
Sample ID 66045
Solvent CDCl3