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8,8",5',5"'-Tetrahydroxy-7,7",3'.3"',4',4"'-hexamethoxy-5,5"-biflavan

View entire compound with spectra: 1 MS (GC)

8,8",5',5"'-Tetrahydroxy-7,7",3'.3"',4',4"'-hexamethoxy-5,5"-biflavan
SpectraBase Compound ID HZ8s1IJ4Ziy
InChI InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3
InChIKey GBQSWSKEZIAPTN-UHFFFAOYSA-N
Mol Weight 662.7 g/mol
Molecular Formula C36H38O12
Exact Mass 662.236327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxIot62cbsD
Name 8,8",5',5"'-Tetrahydroxy-7,7",3'.3"',4',4"'-hexamethoxy-5,5"-biflavan
Alternate Name(s) 5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-5-yl]-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O12
InChI InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3
InChIKey GBQSWSKEZIAPTN-UHFFFAOYSA-N
Molecular Weight 662.688 g/mol
SMILES Oc1cc(C2Oc3c(c(-c4c5c(c(c(c4)OC)O)OC(CC5)c4cc(O)c(c(c4)OC)OC)cc(c3O)OC)CC2)cc(c1OC)OC
SPLASH splash10-014i-0901000000-ca6f5fdcdf4c02f0007e
Source of Spectrum X2-54-205-11
Wiley ID 1603897