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Chaetopyranin
SpectraBase Compound ID Hd1LgxOXaYF
InChI InChI=1S/C19H24O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,13,15,21-22H,6,8-9H2,1-3H3/b7-5+
InChIKey XWZLFKLXNARMNW-FNORWQNLSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eJKX3mG1HI
Name (E)-6-Hydroxy-2-(3-hydroxybut-1-enyl)-7-(3-methylbut-2-enyl)-chroman-5-carbaldehyde
Appearance Yellow solid
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Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,13,15,21-22H,6,8-9H2,1-3H3/b7-5+
InChIKey XWZLFKLXNARMNW-FNORWQNLSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np060248n
Molecular Weight 316.397 g/mol
Optical Rotation [a]D22 = +8.0 (c = 0.50, MeOH)
Reported Formula C19H24O4
SMILES OC(\C=C\C1Oc2c(c(c(c(c2)CC=C(C)C)O)C=O)CC1)C
SPLASH splash10-02vl-3931000000-b064822d247aa4b77d66
Source of Spectrum G4-69-SM13-1
Wiley ID 1873980