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epicatechin-(3'->0->7''')-epiafzelechin
SpectraBase Compound ID GN2asXVheI5
InChI InChI=1S/C30H26O11/c31-15-7-21(34)17-11-25(38)30(40-26(17)8-15)14-2-4-20(33)28(6-14)39-16-9-22(35)18-12-24(37)29(41-27(18)10-16)13-1-3-19(32)23(36)5-13/h1-10,24-25,29-38H,11-12H2/t24-,25-,29-,30-/m1/s1
InChIKey CJIVSFGUROCBPU-XSLCZBKOSA-N
Mol Weight 562.53 g/mol
Molecular Formula C30H26O11
Exact Mass 562.147512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8udVwjigjm
Name epicatechin-(3'->0->7''')-epiafzelechin
Appearance Colorless gummy solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26O11
InChI InChI=1S/C30H26O11/c31-15-7-21(34)17-11-25(38)30(40-26(17)8-15)14-2-4-20(33)28(6-14)39-16-9-22(35)18-12-24(37)29(41-27(18)10-16)13-1-3-19(32)23(36)5-13/h1-10,24-25,29-38H,11-12H2/t24-,25-,29-,30-/m1/s1
InChIKey CJIVSFGUROCBPU-XSLCZBKOSA-N
Instrument Name JMS-HX-110
Ionization Type EI
Literature Reference DOI 10.1021/np030494o
Molecular Weight 562.527 g/mol
Optical Rotation [a]D25 = -41.3 (c = 0.040, MeOH)
Reported Formula C30H27O11
SMILES Oc1cc(cc2O[C@](c3ccc(c(c3)Oc3cc(c4C[C@]([C@@](c5cc(c(cc5)O)O)(Oc4c3)[H])(O)[H])O)O)([C@@](Cc12)(O)[H])[H])O
SPLASH splash10-000i-0910000000-e39baa0865ecddecb487
Source of Spectrum G4-67-1454-2
Wiley ID 1881868