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HYDROXYSARGAQUINONE;(2E,6E,10E,14E)-2-(9-HYDROXY-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL)-6-METHYL-1,4-BENZOQUINONE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

HYDROXYSARGAQUINONE;(2E,6E,10E,14E)-2-(9-HYDROXY-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL)-6-METHYL-1,4-BENZOQUINONE
SpectraBase Compound ID 5Ri05KsQZoQ
InChI InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+
InChIKey ITPMCPADGKSIBU-OPKIJKSPSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ff5GKDqZvYA
Name HYDROXYSARGAQUINONE;(2E,6E,10E,14E)-2-(9-HYDROXY-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL)-6-METHYL-1,4-BENZOQUINONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+
InChIKey ITPMCPADGKSIBU-OPKIJKSPSA-N
Literature Reference Author A.NUMATA,S.KANBARA,C.TAKAHASHI,R.FUJIKI,M.YONEDA,Y.USAMI,E.F UJITA
Literature Reference Citation PHYTOCHEM.,31,1209(1992)
Literature Reference DOI 10.1016/0031-9422(92)80262-D
Molecular Weight 410.597 g/mol
Solvent CDCl3
Source File Reference UWVN5104