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Cochinchinone J
SpectraBase Compound ID Eq2JEbYB1jQ
InChI InChI=1S/C28H30O5/c1-16(2)7-6-13-28(5)14-12-20-26(33-28)19(10-8-17(3)4)24(30)23-25(31)21-15-18(29)9-11-22(21)32-27(20)23/h7-9,11-12,14-15,29-30H,6,10,13H2,1-5H3
InChIKey UYHISJVOASPZNX-UHFFFAOYSA-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 KPI7hk63SPM
Name Cochinchinone J
Alternate Name(s) 6,9-Dihydroxy-3-methyl-5-(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-7-pyrano[2,3-c]xanthenone 3-Methyl-5-(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)-6,9-bis(oxidanyl)pyrano[2,3-c]xanthen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O5
InChI InChI=1S/C28H30O5/c1-16(2)7-6-13-28(5)14-12-20-26(33-28)19(10-8-17(3)4)24(30)23-25(31)21-15-18(29)9-11-22(21)32-27(20)23/h7-9,11-12,14-15,29-30H,6,10,13H2,1-5H3
InChIKey UYHISJVOASPZNX-UHFFFAOYSA-N
Molecular Weight 446.543 g/mol
SMILES Oc1c(c2OC(C=Cc2c2c1C(c1cc(ccc1O2)O)=O)(CCC=C(C)C)C)CC=C(C)C
SPLASH splash10-03di-0009100000-ab85dccd83aa9e9ee77f
Source of Spectrum F-65-3011-2
Wiley ID 1681276