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2-Anthracenebutanoic acid, 9,10-dihydro-.alpha.,1,4-trihydroxy-.alpha.-methyl-9,10-dioxo-, methyl ester, (R)-
SpectraBase Compound ID ANfPWWADVX6
InChI InChI=1S/C20H18O7/c1-20(26,19(25)27-2)8-7-10-9-13(21)14-15(16(10)22)18(24)12-6-4-3-5-11(12)17(14)23/h3-6,9,21-22,26H,7-8H2,1-2H3
InChIKey MPJPFOGSLOLRPH-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 F6Ol7tqXvAe
Name 2-Anthracenebutanoic acid, 9,10-dihydro-.alpha.,1,4-trihydroxy-.alpha.-methyl-9,10-dioxo-, methyl ester, (R)-
CAS Registry Number 110561-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-20(26,19(25)27-2)8-7-10-9-13(21)14-15(16(10)22)18(24)12-6-4-3-5-11(12)17(14)23/h3-6,9,21-22,26H,7-8H2,1-2H3
InChIKey MPJPFOGSLOLRPH-UHFFFAOYSA-N
Molecular Weight 370.357 g/mol
SMILES Oc1c2c(c(cc1CCC(C(=O)OC)(O)C)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-014l-0092000000-477d4805a87b8be5b245
Source of Spectrum F-42-6641-13
Synonyms 1,4-Dihydroxy-2-(3-hydroxy-3-methoxycarbonyl-butyl)-9,10-dihydroanthracene-9,10-dione Methyl (2R)-4-(9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracen-2-yl)-2-hydroxy-2-methylbutanoate Methyl 4-(1,4-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-2-hydroxy-2-methylbutanoate
Wiley ID 1354211