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AWOGQCSIVCQXBT-VUEDXXQZSA-N
SpectraBase Compound ID xaDgVjK54b
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-VUEDXXQZSA-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 KcJ2NFNA4n0
Name 5-[(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-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-VUEDXXQZSA-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 splash10-00dj-0905000000-248a0e030fcd8702a69a
Source of Spectrum J-60-1152-1
Synonyms 5-[(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Wiley ID 1354339