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2-[(14E)-9-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-ethyl-7-hydroxy-5,13-diketo-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
SpectraBase Compound ID oUSAhBXxbV
InChI InChI=1S/C31H51NO10/c1-9-24-19(5)29-31(6,42-29)11-10-22(33)16(2)12-20(14-25(35)36)28(18(4)23(34)15-26(37)40-24)41-30-27(38)21(32(7)8)13-17(3)39-30/h10-11,16-21,23-24,27-30,34,38H,9,12-15H2,1-8H3,(H,35,36)/b11-10+
InChIKey LRRXBONPQFMFIU-ZHACJKMWSA-N
Mol Weight 597.7 g/mol
Molecular Formula C31H51NO10
Exact Mass 597.351297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhPXDf9x0bm
Name 2-[(14E)-9-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-ethyl-7-hydroxy-5,13-diketo-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H51NO10
InChI InChI=1S/C31H51NO10/c1-9-24-19(5)29-31(6,42-29)11-10-22(33)16(2)12-20(14-25(35)36)28(18(4)23(34)15-26(37)40-24)41-30-27(38)21(32(7)8)13-17(3)39-30/h10-11,16-21,23-24,27-30,34,38H,9,12-15H2,1-8H3,(H,35,36)/b11-10+
InChIKey LRRXBONPQFMFIU-ZHACJKMWSA-N
Literature Reference Author M.S.PUAR,D.SCHUMACHER
Literature Reference Citation J.ANTIBIOTICS,43,1497(1990)
Literature Reference DOI 10.7164/antibiotics.43.1497
Molecular Weight 597.747 g/mol
Sample ID 40574
Solvent CDCl3