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(5R,6S,7R)-2-methoxy-7-methyl-5,6,7,9,10-pentakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione
SpectraBase Compound ID AZSrafEikvF
InChI InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,18,20-23H,4H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey ZQNOLGRKZRDRQO-OWCLPIDISA-N
Mol Weight 336.3 g/mol
Molecular Formula C16H16O8
Exact Mass 336.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 996AnB1thnA
Name (5R,6S,7R)-2-methoxy-7-methyl-5,6,7,9,10-pentakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione
Alternate Name(s) (5R,6S,7R)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione (5R,6S,7R)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-quinone Bostrycin
CAS Registry Number 122292-69-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O8
InChI InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,18,20-23H,4H2,1-2H3/t14-,15+,16-/m1/s1
InChIKey ZQNOLGRKZRDRQO-OWCLPIDISA-N
Molecular Weight 336.296 g/mol
SMILES Oc1c2c(c(c3c1C(C(=CC3=O)OC)=O)O)[C@]([C@@]([C@@](C2)(O)C)(O)[H])(O)[H]
SPLASH splash10-00di-0009000000-01c0c1656c0005bcca57
Source of Spectrum F-46-4727-3
Wiley ID 1332158