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MUCUSISOFLAVONE_C
SpectraBase Compound ID HzDsCN7fgAD
InChI InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
InChIKey HCKWMBTVENMFOU-UHFFFAOYSA-N
Mol Weight 674.7 g/mol
Molecular Formula C40H34O10
Exact Mass 674.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHjDS2CgPvn
Name Mucusisoflavone C
Appearance Yellowish crystals
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Formula C40H34O10
InChI InChI=1S/C40H34O10/c1-19(2)5-6-23-12-21(7-9-29(23)42)28-18-50-40-35(32(45)16-33(46)37(40)39(28)48)26(11-20(3)4)25-13-22(8-10-30(25)43)27-17-49-34-15-24(41)14-31(44)36(34)38(27)47/h5,7-18,26,41-46H,6H2,1-4H3
InChIKey HCKWMBTVENMFOU-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/np100896w
Molecular Weight 674.702 g/mol
Optical Rotation [a]D30 = +30 (c = 0.03, MeOH)
Reported Formula C40H34O10
SMILES Oc1c(C(c2cc(ccc2O)C2=COc3cc(O)cc(O)c3C2=O)C=C(C)C)c2OC=C(C(c2c(c1)O)=O)c1ccc(O)c(CC=C(C)C)c1
SPLASH splash10-01b9-4928000000-9fe7089e6224bb41762b
Source of Spectrum G4-74-1377-3
Wiley ID 1849174