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COCHINCHINONE-A
SpectraBase Compound ID JQfInDnUYZc
InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
InChIKey ZHJQVNDLFGICFY-VCHYOVAHSA-N
Mol Weight 448.6 g/mol
Molecular Formula C28H32O5
Exact Mass 448.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkHEFDZ9taK
Name (E)-4-(3,7-dimethylocta-2,6-dien-1-yl)-1,3,7-trihydroxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Alternate Name(s) Cochinchinone A
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Formula C28H32O5
InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
InChIKey ZHJQVNDLFGICFY-VCHYOVAHSA-N
Molecular Weight 448.559 g/mol
SMILES Oc1c2C(c3cc(ccc3Oc2c(c(c1CC=C(C)C)O)C\C=C\(CCC=C(C)C)C)O)=O
SPLASH splash10-01bm-3393400000-eb0736d0b6add475ecba
Source of Spectrum W. Mahabusarakam, et al. Phytochemistry, V. 67, 2006, P.470-474
Wiley ID 1817575