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BRANDISIANIN_D
SpectraBase Compound ID 481sYVOZy8
InChI InChI=1S/C22H20O8/c1-22(10-23)5-4-11-17(30-22)8-15(25)19-20(26)13(9-29-21(11)19)12-6-18(28-3)14(24)7-16(12)27-2/h4-9,23-25H,10H2,1-3H3/t22-/m1/s1
InChIKey XHRAWCRTNOGRCB-JOCHJYFZSA-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 9kwTAHNH98C
Name Brandisianin D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-22(10-23)5-4-11-17(30-22)8-15(25)19-20(26)13(9-29-21(11)19)12-6-18(28-3)14(24)7-16(12)27-2/h4-9,23-25H,10H2,1-3H3/t22-/m1/s1
InChIKey XHRAWCRTNOGRCB-JOCHJYFZSA-N
Molecular Weight 412.394 g/mol
SMILES Oc1cc(c(C=2C(c3c(cc4c(c3OC2)C=C[C@@](O4)(CO)C)O)=O)cc1OC)OC
SPLASH splash10-001i-0009000000-02859084a02b15bcff54
Source of Spectrum G4-70-1913-4
Synonyms (8R)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methyl-4-pyrano[2,3-h][1]benzopyranone (8R)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one (8R)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxy-phenyl)-8-(hydroxymethyl)-8-methyl-pyrano[2,3-h]chromen-4-one (8R)-3-(2,5-dimethoxy-4-oxidanyl-phenyl)-8-(hydroxymethyl)-8-methyl-5-oxidanyl-pyrano[2,3-h]chromen-4-one
Wiley ID 1694847