John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4fpAqt0buul SpectraBase Spectrum ID=1kVIlKHD6Lt

(accessed ).
PESTALOTIOPSOL-B;(4-S*,5-R*)-(2-Z,6-Z,8-E)-4,5-DIHYDROXY-6-HYDROXYMETHYL-2,6,8-DECATRIENE
SpectraBase Compound ID 4fpAqt0buul
InChI InChI=1S/C11H18O3/c1-3-5-7-9(8-12)11(14)10(13)6-4-2/h3-7,10-14H,8H2,1-2H3/b5-3+,6-4+,9-7+/t10-,11+/m0/s1
InChIKey QPHIDXVWDBPNIM-OMTNKLPCSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kVIlKHD6Lt
Name PESTALOTIOPSOL-B;(4-S*,5-R*)-(2-Z,6-Z,8-E)-4,5-DIHYDROXY-6-HYDROXYMETHYL-2,6,8-DECATRIENE
Compound Number 7
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-3-5-7-9(8-12)11(14)10(13)6-4-2/h3-7,10-14H,8H2,1-2H3/b5-3+,6-4+,9-7+/t10-,11+/m0/s1
InChIKey QPHIDXVWDBPNIM-OMTNKLPCSA-N
Literature Reference Author M.PULICI,F.SUGAWARA,H.KOSHINO,G.OKADA,Y.ESUMI,J.UZAWA,S.YOSH IDA
Literature Reference Citation PHYTOCHEM.,46,313(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00285-9
Molecular Weight 198.262 g/mol
Sample ID 44847
Solvent CDCl3
SpectraBase Batch ID 9k50mZTqdPG