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(7-S,8-R,9-R)-9-(BENZO-[D]-[1,3]-DIOXOL-5-YL)-7,8-DIMETHYL-6,7,8,9-TETRAHYDRONAPHTHO-[2,1-D]-[1,3]-DIOXOL-5-YL_ACETATE
SpectraBase Compound ID DQNoeBGpOrh
InChI InChI=1S/C22H22O6/c1-11-6-15-17(28-13(3)23)8-19-22(27-10-26-19)21(15)20(12(11)2)14-4-5-16-18(7-14)25-9-24-16/h4-5,7-8,11-12,20H,6,9-10H2,1-3H3/t11-,12+,20+/m0/s1
InChIKey MSAVOESMNLZERL-XXRNEEKGSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ECD1GUp6eN
Name (7-S,8-R,9-R)-9-(BENZO-[D]-[1,3]-DIOXOL-5-YL)-7,8-DIMETHYL-6,7,8,9-TETRAHYDRONAPHTHO-[2,1-D]-[1,3]-DIOXOL-5-YL_ACETATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-11-6-15-17(28-13(3)23)8-19-22(27-10-26-19)21(15)20(12(11)2)14-4-5-16-18(7-14)25-9-24-16/h4-5,7-8,11-12,20H,6,9-10H2,1-3H3/t11-,12+,20+/m0/s1
InChIKey MSAVOESMNLZERL-XXRNEEKGSA-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 382.413 g/mol
Sample ID 29203
Solvent CDCl3