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2-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]acrylic acid
SpectraBase Compound ID BjCNpf1FSlN
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(22)18-15(14(3)19(23)24)11-16(21)20(4,25-18)10-6-8-12/h8,13,15-18,21-22H,3,5-7,9-11H2,1-2,4H3,(H,23,24)/b12-8+/t13-,15-,16+,17-,18+,20-/m0/s1
InChIKey KYBXJRWRNLINMP-XCBYQVHCSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bvRUnhTjSf
Name 2-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]acrylic acid
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(22)18-15(14(3)19(23)24)11-16(21)20(4,25-18)10-6-8-12/h8,13,15-18,21-22H,3,5-7,9-11H2,1-2,4H3,(H,23,24)/b12-8+/t13-,15-,16+,17-,18+,20-/m0/s1
InChIKey KYBXJRWRNLINMP-XCBYQVHCSA-N
Literature Reference Author A.D.RODRIGUEZ,I.C.PINA,A.L.ACOSTA,C.RAMIREZ,J.J.SOTO
Literature Reference Citation J.ORG.CHEM.,66,648(2001)
Literature Reference DOI 10.1021/jo001025j
Molecular Weight 352.471 g/mol
Solvent CDCl3
Source File Reference UWMS27548