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SAUCERNEOL_H;6-{(2-S,3-R,4-S)-4-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-4-HYDROXY-2,3-DIMETHYLBUTYL}-BENZO-[D]-[1.3]-DIOXOL-5-OL
SpectraBase Compound ID KkWWadoqyS7
InChI InChI=1S/C20H22O6/c1-11(5-14-7-18-19(8-15(14)21)26-10-25-18)12(2)20(22)13-3-4-16-17(6-13)24-9-23-16/h3-4,6-8,11-12,20-22H,5,9-10H2,1-2H3/t11-,12+,20-/m0/s1
InChIKey MUMFFBHTQFUOMR-ZBUHCNDUSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4l53nm0W4y
Name SAUCERNEOL_H;6-{(2-S,3-R,4-S)-4-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-4-HYDROXY-2,3-DIMETHYLBUTYL}-BENZO-[D]-[1.3]-DIOXOL-5-OL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-11(5-14-7-18-19(8-15(14)21)26-10-25-18)12(2)20(22)13-3-4-16-17(6-13)24-9-23-16/h3-4,6-8,11-12,20-22H,5,9-10H2,1-2H3/t11-,12+,20-/m0/s1
InChIKey MUMFFBHTQFUOMR-ZBUHCNDUSA-N
Literature Reference Author C.S.SEO,M.S.ZHENG,M.H.WOO,C.S.LEE,S.H.LEE,B.S.JEONG,H.W.CHAN G,E.S.LEE,J.K.SON
Literature Reference Citation J.NAT.PROD.,71,1771(2008)
Literature Reference DOI 10.1021/np8002723
Molecular Weight 358.391 g/mol
Sample ID 29201
Solvent CDCl3