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Saururin A
SpectraBase Compound ID NeFQszznaB
InChI InChI=1S/C20H22O6/c1-11(3-13-5-17-19(7-15(13)21)25-9-23-17)12(2)4-14-6-18-20(8-16(14)22)26-10-24-18/h5-8,11-12,21-22H,3-4,9-10H2,1-2H3/t11-,12+
InChIKey INGQRUQCHRFZGR-TXEJJXNPSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4999i3yFDEu
Name Saururin A
Alternate Name(s) 2,2'-Dihydroxy-4,5 : 4',5'-bis(methylenedioxy)-8,8'-neolignan 6-[(2S,3R)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol 6-[(2S,3R)-4-(6-hydroxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-1,3-benzodioxol-5-ol 6-[(2S,3R)-2,3-dimethyl-4-(6-oxidanyl-1,3-benzodioxol-5-yl)butyl]-1,3-benzodioxol-5-ol
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Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-11(3-13-5-17-19(7-15(13)21)25-9-23-17)12(2)4-14-6-18-20(8-16(14)22)26-10-24-18/h5-8,11-12,21-22H,3-4,9-10H2,1-2H3/t11-,12+
InChIKey INGQRUQCHRFZGR-TXEJJXNPSA-N
Molecular Weight 358.390 g/mol
SMILES Oc1c(C[C@]([C@](Cc2cc3c(cc2O)OCO3)(C)[H])(C)[H])cc2c(c1)OCO2
SPLASH splash10-0k96-5609000000-2d08ac6f5598a764fab0
Source of Spectrum G4-64-1563-1
Wiley ID 1609331