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2-Anthracenebutanoic acid, 9,10-dihydro-.beta.,1-dihydroxy-5-methoxy-.beta.-methyl-9,10-dioxo-, 1,1-dimethylethyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Anthracenebutanoic acid, 9,10-dihydro-.beta.,1-dihydroxy-5-methoxy-.beta.-methyl-9,10-dioxo-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID GOVmYmbfJU6
InChI InChI=1S/C24H26O7/c1-23(2,3)31-17(25)12-24(4,29)11-13-9-10-15-19(20(13)26)22(28)14-7-6-8-16(30-5)18(14)21(15)27/h6-10,26,29H,11-12H2,1-5H3
InChIKey TYJNFDMCJMDJJD-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C24H26O7
Exact Mass 426.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUmKFSeUkyc
Name 2-Anthracenebutanoic acid, 9,10-dihydro-.beta.,1-dihydroxy-5-methoxy-.beta.-methyl-9,10-dioxo-, 1,1-dimethylethyl ester, (.+-.)-
CAS Registry Number 116162-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O7
InChI InChI=1S/C24H26O7/c1-23(2,3)31-17(25)12-24(4,29)11-13-9-10-15-19(20(13)26)22(28)14-7-6-8-16(30-5)18(14)21(15)27/h6-10,26,29H,11-12H2,1-5H3
InChIKey TYJNFDMCJMDJJD-UHFFFAOYSA-N
Molecular Weight 426.465 g/mol
SMILES Oc1c(CC(CC(OC(C)(C)C)=O)(O)C)ccc2C(c3c(cccc3C(c12)=O)OC)=O
SPLASH splash10-0uxr-0095000000-be0a30b4ca1e25b32c0e
Source of Spectrum F-44-53-0
Synonyms tert-Butyl 2-(9,10-dihydro-1-hydroxy-5-methoxy-9,10-dioxo-2-anthryl)-3-hydroxy-3-methyl butanoate tert-Butyl 3-hydroxy-4-(1-hydroxy-5-methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-methylbutanoate
Wiley ID 1379954