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SE2-2385-1;BETA-ISORHODOMYCINONE
SpectraBase Compound ID GkqnC7gI4YS
InChI InChI=1S/C20H18O9/c1-2-20(29)5-8(23)11-14(19(20)28)18(27)13-12(17(11)26)15(24)9-6(21)3-4-7(22)10(9)16(13)25/h3-4,8,19,21-23,26-29H,2,5H2,1H3/t8-,19+,20-/m0/s1
InChIKey YCGOFCMTIPNCPZ-HCZRMRHYSA-N
Mol Weight 402.36 g/mol
Molecular Formula C20H18O9
Exact Mass 402.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rx8XvwaUnY
Name SE2-2385-1;BETA-ISORHODOMYCINONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O9
InChI InChI=1S/C20H18O9/c1-2-20(29)5-8(23)11-14(19(20)28)18(27)13-12(17(11)26)15(24)9-6(21)3-4-7(22)10(9)16(13)25/h3-4,8,19,21-23,26-29H,2,5H2,1H3/t8-,19+,20-/m0/s1
InChIKey YCGOFCMTIPNCPZ-HCZRMRHYSA-N
Literature Reference Author O.JOHDO,T.ISHIKURA,A.YOSHIMOTO,T.TAKEUCHI
Literature Reference Citation J.ANTIBIOTICS,44,1110(1991)
Literature Reference DOI 10.7164/antibiotics.44.1110
Molecular Weight 402.358 g/mol
Sample ID 66557
Solvent CDCl3:CD3OD=5:1