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GLOBUXANTHONE
SpectraBase Compound ID I6LxPogJiXE
InChI InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)15(22)13-14(21)9-6-5-7-11(19)16(9)23-17(10)13/h4-8,19-20,22H,1H2,2-3H3
InChIKey OBZOCMORJAPERH-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D21sm2dt92
Name Globuxanthrone (1,2,5-Trihydroxy-4-(1,1-dimethylallyl)xanthr-9-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)15(22)13-14(21)9-6-5-7-11(19)16(9)23-17(10)13/h4-8,19-20,22H,1H2,2-3H3
InChIKey OBZOCMORJAPERH-UHFFFAOYSA-N
Molecular Weight 312.321 g/mol
SMILES Oc1c2c(C(c3c(c(cc(c3O)O)C(C=C)(C)C)O2)=O)ccc1
SPLASH splash10-0400-0394000000-70ce6cb8a818b727bb78
Source of Spectrum H1-40-284-4
Synonyms 4-(1,1-dimethyl-2-propenyl)-1,2,5-trihydroxy-9H-xanthen-9-one 1,2,5-trihydroxy-4-(2-methylbut-3-en-2-yl)-9-xanthenone 1,2,5-trihydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one 4-(1,1-dimethylallyl)-1,2,5-trihydroxy-xanthen-9-one 4-(2-Methylbut-3-en-2-yl)-1,2,5-tris(oxidanyl)xanthen-9-one
Wiley ID 756941