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Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-6,8-dimethoxy-3-methyl-
SpectraBase Compound ID Fr5sTs43tuf
InChI InChI=1S/C21H18O5/c1-10-7-11-9-15(26-3)18-19(16(11)13(22)8-10)20(23)12-5-4-6-14(25-2)17(12)21(18)24/h4-6,9-10H,7-8H2,1-3H3
InChIKey QVNMRAVKZFZGRB-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H18O5
Exact Mass 350.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c1wE1xdakr
Name Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-6,8-dimethoxy-3-methyl-
CAS Registry Number 104209-16-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O5
InChI InChI=1S/C21H18O5/c1-10-7-11-9-15(26-3)18-19(16(11)13(22)8-10)20(23)12-5-4-6-14(25-2)17(12)21(18)24/h4-6,9-10H,7-8H2,1-3H3
InChIKey QVNMRAVKZFZGRB-UHFFFAOYSA-N
Molecular Weight 350.370 g/mol
SMILES c12c(C(=O)c3c(C2=O)c(OC)ccc3)c2C(CC(Cc2cc1OC)C)=O
SPLASH splash10-0f79-0009000000-9e2aea305733b493b3b5
Source of Spectrum F-41-5777-0
Synonyms 6,8-dimethoxy-3-methyl-3,4-dihydrobenzo[a]anthracene-1,7,12(2H)-trione Dimethoxyrabelomycin
Wiley ID 1342044