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8,8",5'-Trihydroxy-7,7",3'.3"',4',4"',5''-heptamethoxy-5,5"-biflavan

View entire compound with spectra: 1 MS (GC)

8,8",5'-Trihydroxy-7,7",3'.3"',4',4"',5''-heptamethoxy-5,5"-biflavan
SpectraBase Compound ID 1tH6ucWjQ1E
InChI InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3
InChIKey BXMDPVWZQNENII-UHFFFAOYSA-N
Mol Weight 676.7 g/mol
Molecular Formula C37H40O12
Exact Mass 676.251977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nOZfjsGfI
Name 8,8",5'-Trihydroxy-7,7",3'.3"',4',4"',5''-heptamethoxy-5,5"-biflavan
Alternate Name(s) 2-(3-hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40O12
InChI InChI=1S/C37H40O12/c1-41-27-16-22(20-8-10-25(48-34(20)32(27)39)18-12-24(38)36(46-6)29(13-18)43-3)23-17-28(42-2)33(40)35-21(23)9-11-26(49-35)19-14-30(44-4)37(47-7)31(15-19)45-5/h12-17,25-26,38-40H,8-11H2,1-7H3
InChIKey BXMDPVWZQNENII-UHFFFAOYSA-N
Molecular Weight 676.715 g/mol
SMILES Oc1c2c(c(-c3c4c(c(c(c3)OC)O)OC(CC4)c3cc(O)c(c(c3)OC)OC)cc1OC)CCC(O2)c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-00lr-0911001000-63af6c021f6f144cf42c
Source of Spectrum X2-54-204-9
Wiley ID 1603899