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2-Anthracenebutanoic acid, 9,10-dihydro-.beta.,1-dihydroxy-5-methoxy-.beta.-methyl-9,10-dioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID BvkmdYjxQn3
InChI InChI=1S/C21H20O7/c1-21(26,10-15(22)28-3)9-11-7-8-13-17(18(11)23)20(25)12-5-4-6-14(27-2)16(12)19(13)24/h4-8,23,26H,9-10H2,1-3H3
InChIKey BTWOLOCTMSMFHB-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DuIh9k4cS5
Name 2-Anthracenebutanoic acid, 9,10-dihydro-.beta.,1-dihydroxy-5-methoxy-.beta.-methyl-9,10-dioxo-, methyl ester, (.+-.)-
Alternate Name(s) Methyl (3R)-4-(1'-hydroxy-5'-methoxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate 5-O-methylfridamycin e-methyl ester Methyl 3-hydroxy-4-(1-hydroxy-5-methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-methylbutanoate Methyl 4-(9,10-dihydro-1-hydroxy-5-methoxy-9,10-dioxo-2-anthryl)-3-hydroxy-3-methyl)butanoate
CAS Registry Number 116162-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-21(26,10-15(22)28-3)9-11-7-8-13-17(18(11)23)20(25)12-5-4-6-14(27-2)16(12)19(13)24/h4-8,23,26H,9-10H2,1-3H3
InChIKey BTWOLOCTMSMFHB-UHFFFAOYSA-N
Molecular Weight 384.384 g/mol
SMILES Oc1c(CC(CC(=O)OC)(O)C)ccc2C(c3c(cccc3C(c12)=O)OC)=O
SPLASH splash10-014i-0090000000-fa153d3289f9ea309c79
Source of Spectrum F-44-53-0
Wiley ID 1361511