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Cochinchinone I
SpectraBase Compound ID 1FPh241cBVw
InChI InChI=1S/C28H30O5/c1-16(2)7-6-8-17(3)9-11-20-26-19(13-14-28(4,5)33-26)24(30)23-25(31)21-15-18(29)10-12-22(21)32-27(20)23/h7,9-10,12-15,29-30H,6,8,11H2,1-5H3/b17-9+
InChIKey HRVRLGBIRKQVCX-RQZCQDPDSA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGMrwe4UDVx
Name Cochinchinone I
Alternate Name(s) 12-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,8-dihydroxy-2,2-dimethyl-6-pyrano[3,2-b]xanthenone 12-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,8-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one 12-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2-dimethyl-5,8-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one
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Formula C28H30O5
InChI InChI=1S/C28H30O5/c1-16(2)7-6-8-17(3)9-11-20-26-19(13-14-28(4,5)33-26)24(30)23-25(31)21-15-18(29)10-12-22(21)32-27(20)23/h7,9-10,12-15,29-30H,6,8,11H2,1-5H3/b17-9+
InChIKey HRVRLGBIRKQVCX-RQZCQDPDSA-N
Molecular Weight 446.543 g/mol
SMILES Oc1c2c(c(c3c1C(c1cc(ccc1O3)O)=O)C\C=C\(CCC=C(C)C)C)OC(C=C2)(C)C
SPLASH splash10-01sj-0006900000-50550dd65c72765426ef
Source of Spectrum F-65-3011-1
Wiley ID 1681277