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2-[(1R,2S,3S,7E,11R,12S,14S)-2,11-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[10.2.1]pentadec-7-en-14-yl]acrylic acid
SpectraBase Compound ID KrREKVOOGKr
InChI InChI=1S/C20H32O5/c1-12-7-5-9-13(2)17(21)18-15(14(3)19(22)23)11-16(25-18)20(4,24)10-6-8-12/h8,13,15-18,21,24H,3,5-7,9-11H2,1-2,4H3,(H,22,23)/b12-8+/t13-,15-,16-,17-,18+,20+/m0/s1
InChIKey ABTAQJSUUVNLJO-XFZUAIFLSA-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 EXD9MCXn0gh
Name 2-[(1R,2S,3S,7E,11R,12S,14S)-2,11-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[10.2.1]pentadec-7-en-14-yl]acrylic acid
Compound Number 17
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(21)18-15(14(3)19(22)23)11-16(25-18)20(4,24)10-6-8-12/h8,13,15-18,21,24H,3,5-7,9-11H2,1-2,4H3,(H,22,23)/b12-8+/t13-,15-,16-,17-,18+,20+/m0/s1
InChIKey ABTAQJSUUVNLJO-XFZUAIFLSA-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 UWMS27547