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4-Isomangostin
SpectraBase Compound ID LwaLg7wlgbH
InChI InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKey JUHXHWKPHWGZKL-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C24H26O6
Exact Mass 410.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ioQBmZwAmv
Name 4-Isomangostin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O6
InChI InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKey JUHXHWKPHWGZKL-UHFFFAOYSA-N
Molecular Weight 410.466 g/mol
SMILES Oc1c2c(c3c(Oc4cc(c(c(c4C3=O)CC=C(C)C)OC)O)c1)OC(CC2)(C)C
SPLASH splash10-01p9-0009400000-382f1257b707cae90764
Source of Spectrum B-51-253-3
Synonyms 1,7-Dihydroxy-8-methoxy-9-(3'-methylbut-2'-en-1'-yl)xantheno[1,2-e]-[(2'',2''-dimethyl)tetrahydropyran] 1,7-Dihydroxy-8-methoxy-9-(3'-methylbut-2'-en-1'-yl)xantheno[1,2-e]-[(2'',2''-dimethyl)tetrahydropyran] 10-Methoxy-2,2-dimethyl-11-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)-3,4-dihydropyrano[2,3-a]xanthen-12-one
Wiley ID 746173