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MILLEWANIN_D;3-[3-(3,7-DIMETHYL-2,6-OCTADIENYL)-4-HYDROXY-5-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID FnFuBvAlGpc
InChI InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-12-22-14-23(13-21(29(22)33)11-9-19(3)4)25-17-35-27-16-24(31)15-26(32)28(27)30(25)34/h7,9-10,13-17,31-33H,6,8,11-12H2,1-5H3/b20-10+
InChIKey VIPUDTLJTQPSIX-KEBDBYFISA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3u3sXUNoA3s
Name (3-[3-(3,7-dimethyl-2,6-octadienyl)-4-hydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one)
Alternate Name(s) Millewanin D
Appearance Pale yellow oil
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Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-18(2)7-6-8-20(5)10-12-22-14-23(13-21(29(22)33)11-9-19(3)4)25-17-35-27-16-24(31)15-26(32)28(27)30(25)34/h7,9-10,13-17,31-33H,6,8,11-12H2,1-5H3/b20-10+
InChIKey VIPUDTLJTQPSIX-KEBDBYFISA-N
Instrument Name JEOL HX-110/JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1021/np030554q
Molecular Weight 474.597 g/mol
Reported Formula C30H34O5
SMILES Oc1cc(cc2c1C(C(c1cc(c(c(c1)CC=C(C)C)O)C\C=C\(CCC=C(C)C)C)=CO2)=O)O
SPLASH splash10-0udj-0916500000-a2487e395353eb160872
Source of Spectrum G4-67-1129-4
Wiley ID 1881840