John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=11eyUBUyau1 SpectraBase Spectrum ID=8FSzPswL4w4

(accessed ).
(4-Z,3-S,8-R,11-S)-CARYOPHYLL-4-(5)-ENE-3,8,14-TRIOL
SpectraBase Compound ID 11eyUBUyau1
InChI InChI=1S/C15H26O3/c1-10-5-4-6-15(3,18)12-8-14(2,9-16)11(12)7-13(10)17/h5,11-13,16-18H,4,6-9H2,1-3H3/b10-5-/t11-,12+,13+,14-,15-/m0/s1
InChIKey KPSFFLYQEVZTNN-XFQFMHHDSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FSzPswL4w4
Name (4-Z,3-S,8-R,11-S)-CARYOPHYLL-4-(5)-ENE-3,8,14-TRIOL
Compound Number 11
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-10-5-4-6-15(3,18)12-8-14(2,9-16)11(12)7-13(10)17/h5,11-13,16-18H,4,6-9H2,1-3H3/b10-5-/t11-,12+,13+,14-,15-/m0/s1
InChIKey KPSFFLYQEVZTNN-XFQFMHHDSA-N
Literature Reference Author R.DURAN-PATRON,J.ALEU,R.HERNANDEZ-GALAN,I.G.COLLADO
Literature Reference Citation J.NAT.PROD.,63,44(2000)
Literature Reference DOI 10.1021/np990296q
Molecular Weight 254.370 g/mol
Solvent CDCl3
Source File Reference UWRU1662
SpectraBase Batch ID 6t6yApdCgNW