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MUCUSISOFLAVONE_A
SpectraBase Compound ID 7mhP9bETrZh
InChI InChI=1S/C40H32O10/c1-20-7-9-40(2,10-8-23-12-21(3-5-30(23)43)27-18-49-34-16-24(41)14-32(45)36(34)38(27)47)29(11-20)26-13-22(4-6-31(26)44)28-19-50-35-17-25(42)15-33(46)37(35)39(28)48/h3-6,8,10-19,29,41-46H,7,9H2,1-2H3/b10-8+/t29-,40+/m1/s1
InChIKey UXLMHNXEKOQLBQ-DCAFODOZSA-N
Mol Weight 672.7 g/mol
Molecular Formula C40H32O10
Exact Mass 672.199547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Of1CErEirH
Name Mucusisoflavone A
Appearance Yellowish amorphous powder
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Formula C40H32O10
InChI InChI=1S/C40H32O10/c1-20-7-9-40(2,10-8-23-12-21(3-5-30(23)43)27-18-49-34-16-24(41)14-32(45)36(34)38(27)47)29(11-20)26-13-22(4-6-31(26)44)28-19-50-35-17-25(42)15-33(46)37(35)39(28)48/h3-6,8,10-19,29,41-46H,7,9H2,1-2H3/b10-8+/t29-,40+/m1/s1
InChIKey UXLMHNXEKOQLBQ-DCAFODOZSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/np100896w
Molecular Weight 672.686 g/mol
Optical Rotation [a]D30 = +33 (c = 0.02, MeOH)
Reported Formula C40H32O10
SMILES Oc1c2C(C(c3cc(\C=C\[C@]4([C@@](c5c(ccc(C6=COc7cc(cc(c7C6=O)O)O)c5)O)(C=C(CC4)C)[H])C)c(cc3)O)=COc2cc(c1)O)=O
SPLASH splash10-0fk9-5974000000-cb1742b4968e89fa8b9e
Source of Spectrum G4-74-1377-1
Wiley ID 1849172