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METHYLDEHYDROGRAVIPHANE;(Z)-1'-METHOXY-1,2,3'-TRIHYDROXYTURRI-8''-ENE
SpectraBase Compound ID Ev3vfkMqUBT
InChI InChI=1S/C27H36O4/c1-31-25-19-22(28)18-21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-23(29)27(26(21)25)24(30)17-20/h3,5,16-19,28-30H,2,4,6-15H2,1H3/b5-3-
InChIKey ZYGGJLPOXFHXPT-HYXAFXHYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kcgTKYwwzd
Name (Z)-1'-methoxy-1,3,3'-trihydroxyturri-8''-ene
Appearance White, amorphous powder
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Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-31-25-19-22(28)18-21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-23(29)27(26(21)25)24(30)17-20/h3,5,16-19,28-30H,2,4,6-15H2,1H3/b5-3-
InChIKey ZYGGJLPOXFHXPT-HYXAFXHYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np0605687
Molecular Weight 424.581 g/mol
Reported Formula C27H36O4
SMILES Oc1cc(c-2c(CCCCC\C=C/CCCCCCCc3cc(c2c(c3)O)O)c1)OC
SPLASH splash10-00di-0120900000-64683150b812e7b517b1
Source of Spectrum G4-70-322-6
Synonyms Methyldehydrograviphane
Wiley ID 1874404