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2-[(1S,4E,9S,10S,11R,12S,14R)-1,5,9-trimethyl-10,14-bis[(2,2,2-trifluoroacetyl)oxy]-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]acrylic acid

View entire compound with spectra: 1 NMR

2-[(1S,4E,9S,10S,11R,12S,14R)-1,5,9-trimethyl-10,14-bis[(2,2,2-trifluoroacetyl)oxy]-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]acrylic acid
SpectraBase Compound ID 3ebXyhyrX3t
InChI InChI=1S/C24H30F6O7/c1-12-7-5-9-13(2)17(36-21(34)24(28,29)30)18-15(14(3)19(31)32)11-16(35-20(33)23(25,26)27)22(4,37-18)10-6-8-12/h8,13,15-18H,3,5-7,9-11H2,1-2,4H3,(H,31,32)/b12-8+/t13-,15-,16+,17-,18+,22-/m0/s1
InChIKey UTMCVZZTHCXIAF-UJYFUBGKSA-N
Mol Weight 544.49 g/mol
Molecular Formula C24H30F6O7
Exact Mass 544.189572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tBZhJRvlRA
Name 2-[(1S,4E,9S,10S,11R,12S,14R)-1,5,9-trimethyl-10,14-bis[(2,2,2-trifluoroacetyl)oxy]-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]acrylic acid
Compound Number 43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30F6O7
InChI InChI=1S/C24H30F6O7/c1-12-7-5-9-13(2)17(36-21(34)24(28,29)30)18-15(14(3)19(31)32)11-16(35-20(33)23(25,26)27)22(4,37-18)10-6-8-12/h8,13,15-18H,3,5-7,9-11H2,1-2,4H3,(H,31,32)/b12-8+/t13-,15-,16+,17-,18+,22-/m0/s1
InChIKey UTMCVZZTHCXIAF-UJYFUBGKSA-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 544.488 g/mol
Solvent CDCl3
Source File Reference UWMS27569