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COCHINCHINENIN_C;1-[5-(2-METHOXY-4,4'-DIHYDROXYDIHYDROCHALCONYL)]-1-(4-METHOXYPHENYL)-3-(2-METHOXY-4-HYDROXYPHENYL)-PROPANE
SpectraBase Compound ID AtAYVfVXXdn
InChI InChI=1S/C33H34O7/c1-38-27-14-7-21(8-15-27)28(16-9-23-6-13-26(35)19-32(23)39-2)29-18-24(33(40-3)20-31(29)37)10-17-30(36)22-4-11-25(34)12-5-22/h4-8,11-15,18-20,28,34-35,37H,9-10,16-17H2,1-3H3
InChIKey SLJWKFROLINAGW-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 6wow35tssRX
Name 1-[5-(2-methoxy-4,4'-dihydroxydihydrochalconyl)]-1-(4-methoxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane
Appearance Colorless gum
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Formula C33H34O7
InChI InChI=1S/C33H34O7/c1-38-27-14-7-21(8-15-27)28(16-9-23-6-13-26(35)19-32(23)39-2)29-18-24(33(40-3)20-31(29)37)10-17-30(36)22-4-11-25(34)12-5-22/h4-8,11-15,18-20,28,34-35,37H,9-10,16-17H2,1-3H3
InChIKey SLJWKFROLINAGW-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 = +3.0 (c = 0.19, CH3OH)
Reported Formula C33H34O7
SMILES Oc1ccc(C(CCc2c(cc(c(C(CCc3ccc(cc3OC)O)c3ccc(cc3)OC)c2)O)OC)=O)cc1
SPLASH splash10-01b9-0911000000-578986de4e4e361537d3
Source of Spectrum G4-70-1576-7
Synonyms Cochinchinenin C
Wiley ID 1874339