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(3S)-3-HYDROXY-8-METHOXY-3-METHYL-3,4-DIHYDRO-2H-BENZ-[A]-ANTHRACENE-1,7,12-TRIONE;(-)-8-O-METHYLTETRANGOMYCIN
SpectraBase Compound ID IRSycqKT4Fd
InChI InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1
InChIKey XZLGWJORNHETKI-HXUWFJFHSA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt3ABD2qgnd
Name (3S)-3-HYDROXY-8-METHOXY-3-METHYL-3,4-DIHYDRO-2H-BENZ-[A]-ANTHRACENE-1,7,12-TRIONE;(-)-8-O-METHYLTETRANGOMYCIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16O5
InChI InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1
InChIKey XZLGWJORNHETKI-HXUWFJFHSA-N
Literature Reference Author C.KESENHEIMER,U.GROTH
Literature Reference Citation ORG.LETTERS,8,2507(2006)
Literature Reference DOI 10.1021/ol060667b
Molecular Weight 336.344 g/mol
Sample ID 59122
Solvent CDCl3