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VISMIAQUINONE-C;1,8-DIHYDROXY-3-METHYL-6-METHOXY-7-(3-METHYL-BUT-2-ENYL)-ANTHRAQUINONE
SpectraBase Compound ID 3Eodd8uHwvj
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/h5,7-9,22,24H,6H2,1-4H3
InChIKey ALEADBNEUMOAQO-UHFFFAOYSA-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 Yij9NfbSME
Name 1,8-dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-2-enyl)-9,10-anthraquinone
Alternate Name(s) 1,8-dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione 3-methoxy-6-methyl-2-(3-methylbut-2-enyl)-1,8-bis(oxidanyl)anthracene-9,10-dione
Comments Less than 3 mono-isotopic peaks
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/h5,7-9,22,24H,6H2,1-4H3
InChIKey ALEADBNEUMOAQO-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES Oc1c(c(cc2c1C(c1c(cc(cc1C2=O)C)O)=O)OC)CC=C(C)C
SPLASH splash10-0a4i-0009000000-bf3802b8313e97d1d2e4
Source of Spectrum F-49-780-11
Wiley ID 1343379