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SAUCERNEOL_I;(1-S,2-S,3-S,4-S)-1,4-DI-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-2,3-DIEMTHYLBUTANE-1,4-DIOL
SpectraBase Compound ID DX0PERWHmu8
InChI InChI=1S/C20H22O6/c1-11(19(21)13-3-5-15-17(7-13)25-9-23-15)12(2)20(22)14-4-6-16-18(8-14)26-10-24-16/h3-8,11-12,19-22H,9-10H2,1-2H3/t11-,12+,19-,20-/m1/s1
InChIKey OVWAGJLFSLWWFE-BINDOVRGSA-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 BQz9IdGQh0l
Name SAUCERNEOL_I;(1-S,2-S,3-S,4-S)-1,4-DI-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-2,3-DIEMTHYLBUTANE-1,4-DIOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-11(19(21)13-3-5-15-17(7-13)25-9-23-15)12(2)20(22)14-4-6-16-18(8-14)26-10-24-16/h3-8,11-12,19-22H,9-10H2,1-2H3/t11-,12+,19-,20-/m1/s1
InChIKey OVWAGJLFSLWWFE-BINDOVRGSA-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 29202
Solvent CDCl3