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(5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone
SpectraBase Compound ID 1bMmHyRJOWr
InChI InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19+/m0/s1
InChIKey ISCQYPPCSYRZOT-MJXNMMHHSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57NzJMrbGQD
Name (5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione
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Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19+/m0/s1
InChIKey ISCQYPPCSYRZOT-MJXNMMHHSA-N
Literature Reference DOI 10.1002/cjoc.19860040106
Molecular Weight 412.394 g/mol
SMILES c1c2c(cc3c1C([C@@]1([C@]([C@@]3(c3cc(c(c(c3)OC)OC)OC)[H])(C(OC1)=O)[H])[H])=O)OCO2
SPLASH splash10-03xr-0205900000-3aab828f0c0f338cca51
Source of Spectrum SI-4-41-4
Synonyms (5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
Wiley ID 1813345