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3-methoxy-5-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyrocatechol
SpectraBase Compound ID 2yk298iKy0Z
InChI InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)27(29)26(19-24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
InChIKey FVCCWDPZVDDONS-DCVNSYBLSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Zg3IjVqgPR
Name 3-methoxy-5-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]pyrocatechol
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-24-18-25(28)27(29)26(19-24)30-6/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
InChIKey FVCCWDPZVDDONS-DCVNSYBLSA-N
Literature Reference Author M.R.KERNAN,R.C.CAMBIE,P.R.BERGQUIST
Literature Reference Citation J.NAT.PROD.,54,269(1991)
Literature Reference DOI 10.1021/np50073a031
Molecular Weight 412.613 g/mol
Solvent CDCl3
Source File Reference UWTS188