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COCHINCHINENIN_B;1-[5-(2,4-DIMETHOXY-4'-HYDROXYDIHYDROCHALCONYL)]-1-(4-HYDROXYPHENYL)-3-(2-METHOXY-4-HYDROXYPHENYL)-PROPANE
SpectraBase Compound ID KV4jwkomq2S
InChI InChI=1S/C33H34O7/c1-38-31-19-27(36)15-8-23(31)9-16-28(21-4-11-25(34)12-5-21)29-18-24(32(39-2)20-33(29)40-3)10-17-30(37)22-6-13-26(35)14-7-22/h4-8,11-15,18-20,28,34-36H,9-10,16-17H2,1-3H3
InChIKey QFWXEYRQNKRQDH-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C33H34O7
Exact Mass 542.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JgvmTWnS5e
Name 1-[5-(2,4-dimethoxy-4'-hydroxydihydrochalconyl)]-1-(4-hydroxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane
Alternate Name(s) Cochinchinenin B
Appearance Colorless gum
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Formula C33H34O7
InChI InChI=1S/C33H34O7/c1-38-31-19-27(36)15-8-23(31)9-16-28(21-4-11-25(34)12-5-21)29-18-24(32(39-2)20-33(29)40-3)10-17-30(37)22-6-13-26(35)14-7-22/h4-8,11-15,18-20,28,34-36H,9-10,16-17H2,1-3H3
InChIKey QFWXEYRQNKRQDH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np070260v
Molecular Weight 542.628 g/mol
Optical Rotation [a]D20 = +4.0 (c = 0.14, CH3OH)
Reported Formula C33H34O7
SMILES Oc1ccc(C(CCc2c(cc(c(C(c3ccc(cc3)O)CCc3ccc(cc3OC)O)c2)OC)OC)=O)cc1
SPLASH splash10-0019-0961000000-efa28115298552168870
Source of Spectrum G4-70-1576-6
Wiley ID 1874338