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Clusiparalicoline B

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

Clusiparalicoline B
SpectraBase Compound ID KOjK49uvFJh
InChI InChI=1S/C27H32O4/c1-17(2)7-6-8-18(3)9-10-19-13-24(29)25(30)16-22(19)20-14-23(28)21-11-12-27(4,5)31-26(21)15-20/h7,9,11-16,28-30H,6,8,10H2,1-5H3/b18-9+
InChIKey CHRXOQYAWDYYSU-GIJQJNRQSA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K4MxvurY
Name Clusiparalicoline B
Alternate Name(s) 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(2,2-dimethyl-5-oxidanyl-chromen-7-yl)benzene-1,2-diol 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(5-hydroxy-2,2-dimethyl-1-benzopyran-7-yl)benzene-1,2-diol 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(5-hydroxy-2,2-dimethyl-chromen-7-yl)benzene-1,2-diol 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(5-hydroxy-2,2-dimethyl-chromen-7-yl)pyrocatechol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-17(2)7-6-8-18(3)9-10-19-13-24(29)25(30)16-22(19)20-14-23(28)21-11-12-27(4,5)31-26(21)15-20/h7,9,11-16,28-30H,6,8,10H2,1-5H3/b18-9+
InChIKey CHRXOQYAWDYYSU-GIJQJNRQSA-N
Molecular Weight 420.549 g/mol
SMILES Oc1c2c(cc(-c3cc(c(cc3C\C=C\(CCC=C(C)C)C)O)O)c1)OC(C=C2)(C)C
SPLASH splash10-0a4i-2046900000-38c2e4ea4d4a1398439c
Source of Spectrum G4-62-1487-2
Wiley ID 1608084