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VISMIAQUINONE-A;1,8-DIHYDROXY-3-METHYL-6-METHOXY-7-(3-METHYL-BUT-1-ENYL)-ANTHRAQUINONE
SpectraBase Compound ID G6hTMcfyvIH
InChI InChI=1S/C21H20O5/c1-10(2)5-6-12-16(26-4)9-14-18(20(12)24)21(25)17-13(19(14)23)7-11(3)8-15(17)22/h5-10,22,24H,1-4H3/b6-5+
InChIKey FMUNWYQUOSZHBF-AATRIKPKSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COLubN4X7Oo
Name 1,8-Dihydroxy-3-methoxy-6-methyl-2-[(1E)-3-methyl-1-butenyl]anthra-9,10-quinone
CAS Registry Number 73340-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-10(2)5-6-12-16(26-4)9-14-18(20(12)24)21(25)17-13(19(14)23)7-11(3)8-15(17)22/h5-10,22,24H,1-4H3/b6-5+
InChIKey FMUNWYQUOSZHBF-AATRIKPKSA-N
Molecular Weight 352.386 g/mol
SMILES Oc1c2C(c3c(cc(cc3O)C)C(c2cc(c1\C=C\C(C)C)OC)=O)=O
SPLASH splash10-0a4i-0029000000-faa09f31483939f678b2
Source of Spectrum W5-1989-12003-1
Synonyms 1,8-Dihydroxy-3-methoxy-6-methyl-2-[(E)-3-methylbut-1-enyl]-9,10-anthraquinone 1,8-Dihydroxy-3-methoxy-6-methyl-2-[(E)-3-methylbut-1-enyl]anthracene-9,10-dione 3-Methoxy-6-methyl-2-[(E)-3-methylbut-1-enyl]-1,8-bis(oxidanyl)anthracene-9,10-dione Vismiaquinone
Wiley ID 1343370