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PROANTHOCYANIDIN;REFERENCE-9
SpectraBase Compound ID D7wt7mIpi8m
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m1/s1
InChIKey NSEWTSAADLNHNH-BDHPMLJSSA-N
Mol Weight 576.51 g/mol
Molecular Formula C30H24O12
Exact Mass 576.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhvJZki8VyK
Name PAVETANNIN-A;EPICATECHIN-(4-ALPHA->8,2-ALPHA->O->7)-ENT-CATECHIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H24O12
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27+,29+,30-/m1/s1
InChIKey NSEWTSAADLNHNH-BDHPMLJSSA-N
Literature Reference Author A.M.BALDE,L.A.PIETERS,A.GERGELY,H.KOLODZIEJ,M.CLAEYS,A.J.VLI ETINCK
Literature Reference Citation PHYTOCHEM.,30,337(1991)
Literature Reference DOI 10.1016/0031-9422(91)84150-Q
Molecular Weight 576.513 g/mol
Solvent CD3OD
Source File Reference UWKP6696