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1-FORMYL-3-HYDROXYNEOGRIFOLIN
SpectraBase Compound ID 4aYJXXcdezB
InChI InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)20(14-24)22(26)23(27)21(19)25/h8,10,12,14,25-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
InChIKey XQTQSUUULVXJPG-JTCWOHKRSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0yxV9uNRgO
Name 2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
Alternate Name(s) 2-Methyl-4,5,6-tris(oxidanyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
CAS Registry Number 65195-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)20(14-24)22(26)23(27)21(19)25/h8,10,12,14,25-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
InChIKey XQTQSUUULVXJPG-JTCWOHKRSA-N
Molecular Weight 372.505 g/mol
SMILES Oc1c(c(c(c(c1O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C=O)O
SPLASH splash10-0f89-0921000000-cf7ba2b87af1bbaf5599
Source of Spectrum K-110-3775-0
Wiley ID 1355708