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Fargesin
SpectraBase Compound ID EQc2G0i1r5L
InChI InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1
InChIKey AWOGQCSIVCQXBT-LATRNWQMSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNu8FdvrBsl
Name (1R*,2R*,5R*,6S*)-2-[(3,4-Dimethoxy)phenyl]-6-(3,4-methlenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octane
Alternate Name(s) Fargesin 5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
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Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1
InChIKey AWOGQCSIVCQXBT-LATRNWQMSA-N
Molecular Weight 370.401 g/mol
SMILES [C@@]12([C@@]([C@@](c3cc4OCOc4cc3)(OC2)[H])(CO[C@]1(c1cc(OC)c(cc1)OC)[H])[H])[H]
SPLASH splash10-00di-1914000000-2f158e93b4238cc01f9b
Source of Spectrum CD-545-0-0
Wiley ID 1354311