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2-acetamido-3-[[(1R,3R)-10-hydroxy-1-isoamyl-6,9-diketo-3-(2-keto-2-methoxy-ethyl)-7-methylamino-3,4-dihydro-1H-benzo[g]isochromen-8-yl]thio]propionic acid methyl ester
SpectraBase Compound ID Fk4ihhaDHMF
InChI InChI=1S/C28H36N2O9S/c1-13(2)7-8-19-21-15(9-16(39-19)11-20(32)37-5)10-17-22(25(21)34)26(35)27(23(29-4)24(17)33)40-12-18(28(36)38-6)30-14(3)31/h10,13,16,18-19,29,34H,7-9,11-12H2,1-6H3,(H,30,31)/t16-,18?,19-/m1/s1
InChIKey GFEAQNMBEUCDQK-LPZUGFHBSA-N
Mol Weight 576.7 g/mol
Molecular Formula C28H36N2O9S
Exact Mass 576.214152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87INy9fbnsq
Name 2-acetamido-3-[[(1R,3R)-10-hydroxy-1-isoamyl-6,9-diketo-3-(2-keto-2-methoxy-ethyl)-7-methylamino-3,4-dihydro-1H-benzo[g]isochromen-8-yl]thio]propionic acid methyl ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36N2O9S
InChI InChI=1S/C28H36N2O9S/c1-13(2)7-8-19-21-15(9-16(39-19)11-20(32)37-5)10-17-22(25(21)34)26(35)27(23(29-4)24(17)33)40-12-18(28(36)38-6)30-14(3)31/h10,13,16,18-19,29,34H,7-9,11-12H2,1-6H3,(H,30,31)/t16-,18?,19-/m1/s1
InChIKey GFEAQNMBEUCDQK-LPZUGFHBSA-N
Literature Reference Author P.KULANTHAIVEL,T.J.PERUN,M.D.BELVO,R.J.STROBEL,D.C.PAUL,D.C. WILLIAMS
Literature Reference Citation J.ANTIBIOTICS,52,256(1999)
Literature Reference DOI 10.7164/antibiotics.52.256
Molecular Weight 576.662 g/mol
Solvent CDCl3
Source File Reference UWRU1957