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MILLEWANIN_C;3-[5-(3,7-DIMETHYL-2,6-OCTADIENYL)3,4-DIHYDROXY-2-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID JqxbwuB2aQW
InChI InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-11-20-13-23(22(12-9-18(3)4)30(35)28(20)33)24-16-36-26-15-21(31)14-25(32)27(26)29(24)34/h7,9-10,13-16,31-33,35H,6,8,11-12H2,1-5H3/b19-10+
InChIKey HOUIUXGKDWIALP-VXLYETTFSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H34O6
Exact Mass 490.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFOczGD3Fai
Name (3-[5-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one)
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O6
InChI InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-11-20-13-23(22(12-9-18(3)4)30(35)28(20)33)24-16-36-26-15-21(31)14-25(32)27(26)29(24)34/h7,9-10,13-16,31-33,35H,6,8,11-12H2,1-5H3/b19-10+
InChIKey HOUIUXGKDWIALP-VXLYETTFSA-N
Instrument Name JEOL HX-110/JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np030554q
Molecular Weight 490.596 g/mol
Reported Formula C30H34O6
SMILES Oc1cc(cc2c1C(C(c1cc(c(c(c1CC=C(C)C)O)O)C\C=C\(CCC=C(C)C)C)=CO2)=O)O
SPLASH splash10-052o-0017900000-fb0f030a2aada009b652
Source of Spectrum G4-67-1129-3
Synonyms Millewanin C
Wiley ID 1881839