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12-DEOXY-SECO-HINOKIOL_METHYLESTER;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]-PROPANOATE

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12-DEOXY-SECO-HINOKIOL_METHYLESTER;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]-PROPANOATE
SpectraBase Compound ID ATeegxoPWCM
InChI InChI=1S/C21H30O2/c1-14(2)16-7-10-19-17(13-16)8-9-18(15(3)4)21(19,5)12-11-20(22)23-6/h7,10,13-14,18H,3,8-9,11-12H2,1-2,4-6H3/t18-,21-/m0/s1
InChIKey UWAOFNCBECRACO-RXVVDRJESA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJnejUIIh1U
Name 12-DEOXY-SECO-HINOKIOL_METHYLESTER;3-[(1-2,2-S)-6-ISOPROPYL-1-METHYL-2-(PROP-1-EN-2-YL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]-PROPANOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-14(2)16-7-10-19-17(13-16)8-9-18(15(3)4)21(19,5)12-11-20(22)23-6/h7,10,13-14,18H,3,8-9,11-12H2,1-2,4-6H3/t18-,21-/m0/s1
InChIKey UWAOFNCBECRACO-RXVVDRJESA-N
Literature Reference Author J.J.CHEN,H.M.WU,C.F.PENG,I.S.CHEN,S.D.CHU
Literature Reference Citation J.NAT.PROD.,72,223(2009)
Literature Reference DOI 10.1021/np800721f
Molecular Weight 314.468 g/mol
Sample ID 32166
Solvent CDCl3