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2-Anthraceneacetic acid, 4,10-dihydroxy-5-methoxy-3-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID JLCt7p2t4jN
InChI InChI=1S/C20H18O7/c1-25-13-6-4-5-10-7-11-8-12(9-14(21)26-2)17(20(24)27-3)19(23)16(11)18(22)15(10)13/h4-8,22-23H,9H2,1-3H3
InChIKey XXEZCAACLXTRFY-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j8yUQnsRpK
Name 2-Anthraceneacetic acid, 4,10-dihydroxy-5-methoxy-3-(methoxycarbonyl)-, methyl ester
CAS Registry Number 114629-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-25-13-6-4-5-10-7-11-8-12(9-14(21)26-2)17(20(24)27-3)19(23)16(11)18(22)15(10)13/h4-8,22-23H,9H2,1-3H3
InChIKey XXEZCAACLXTRFY-UHFFFAOYSA-N
Molecular Weight 370.357 g/mol
SMILES Oc1c2c(c(c(cc2cc2cccc(c12)OC)CC(=O)OC)C(=O)OC)O
SPLASH splash10-0fi1-0948000000-a8443b23f0743d5e25cc
Source of Spectrum C-110-6183-4
Synonyms Methyl 1,9-dihydroxy-8-methoxy-3-(2-methoxy-2-oxoethyl)-2-anthracenecarboxylate Methyl 2-(methoxycarbonyl)-1,9-dihydroxy-8-methoxyanthracene-3-acetate
Wiley ID 1354210