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4-Hydroxy-austrocorticone methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Hydroxy-austrocorticone methyl ester
SpectraBase Compound ID 8JRgNPAxsIm
InChI InChI=1S/C20H16O9/c1-7(21)11-15(20(26)29-4)19(25)14-13(17(11)23)16(22)9-5-8(27-2)6-10(28-3)12(9)18(14)24/h5-6,23,25H,1-4H3
InChIKey DHRNJFRHVCHZHY-UHFFFAOYSA-N
Mol Weight 400.34 g/mol
Molecular Formula C20H16O9
Exact Mass 400.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7byTOCsfX0D
Name 2-Anthracenecarboxylic acid, 3-acetyl-9,10-dihydro-1,4-dihydroxy-6,8-dimethoxy-9,10-dioxo-, methyl ester
Alternate Name(s) 4-Hydroxyaustrocorticone methyl ester Methyl 3-acetyl-1,4-dihydroxy-6,8-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate
CAS Registry Number 128503-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O9
InChI InChI=1S/C20H16O9/c1-7(21)11-15(20(26)29-4)19(25)14-13(17(11)23)16(22)9-5-8(27-2)6-10(28-3)12(9)18(14)24/h5-6,23,25H,1-4H3
InChIKey DHRNJFRHVCHZHY-UHFFFAOYSA-N
Molecular Weight 400.339 g/mol
SMILES Oc1c2c(c(c(c1C(=O)C)C(=O)OC)O)C(c1c(C2=O)cc(cc1OC)OC)=O
SPLASH splash10-0v00-7009400000-18ad3929e9e3618febca
Source of Spectrum KC-1990-1166-18
Wiley ID 1369288