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2-[(3S,3aR,4S,5S,6S,7S,7aR)-5-bromo-6-ethyl-4-hydroxy-2-keto-3,6-dimethyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester

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2-[(3S,3aR,4S,5S,6S,7S,7aR)-5-bromo-6-ethyl-4-hydroxy-2-keto-3,6-dimethyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester
SpectraBase Compound ID BVNbxzXSPrR
InChI InChI=1S/C16H23BrO5/c1-6-16(4)10(8(3)14(19)21-5)12-9(11(18)13(16)17)7(2)15(20)22-12/h7,9-13,18H,3,6H2,1-2,4-5H3/t7-,9+,10+,11-,12-,13+,16-/m0/s1
InChIKey AEVVUSDKTBIMJZ-XBHVNDETSA-N
Mol Weight 375.26 g/mol
Molecular Formula C16H23BrO5
Exact Mass 374.072887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uq12d5VvCz
Name 2-[(3S,3aR,4S,5S,6S,7S,7aR)-5-bromo-6-ethyl-4-hydroxy-2-keto-3,6-dimethyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23BrO5
InChI InChI=1S/C16H23BrO5/c1-6-16(4)10(8(3)14(19)21-5)12-9(11(18)13(16)17)7(2)15(20)22-12/h7,9-13,18H,3,6H2,1-2,4-5H3/t7-,9+,10+,11-,12-,13+,16-/m0/s1
InChIKey AEVVUSDKTBIMJZ-XBHVNDETSA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,A.BARRAGAN,M.ALVAREZ
Literature Reference Citation J.CHEM.SOC.PERKIN-1,4107(1998)
Literature Reference DOI 10.1039/a807410k
Molecular Weight 375.260 g/mol
Solvent CDCl3
Source File Reference UWCP12030