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FISETINIDOL-(4-ALPHA,6)-GALLOCATECHIN;ROTAMER_1
SpectraBase Compound ID EmYGo4HZJWK
InChI InChI=1S/C30H26O12/c31-13-2-3-14-22(8-13)42-30(11-1-4-16(32)17(33)5-11)28(40)24(14)25-18(34)10-23-15(26(25)38)9-21(37)29(41-23)12-6-19(35)27(39)20(36)7-12/h1-8,10,21,24,28-40H,9H2/t21-,24-,28-,29+,30+/m0/s1
InChIKey ZUAQDESYZRTAMM-GKZFYUMFSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4i8uu4tZNlS
Name FISETINIDOL-(4-ALPHA,6)-GALLOCATECHIN;ROTAMER_2
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c31-13-2-3-14-22(8-13)42-30(11-1-4-16(32)17(33)5-11)28(40)24(14)25-18(34)10-23-15(26(25)38)9-21(37)29(41-23)12-6-19(35)27(39)20(36)7-12/h1-8,10,21,24,28-40H,9H2/t21-,24-,28-,29+,30+/m0/s1
InChIKey ZUAQDESYZRTAMM-GKZFYUMFSA-N
Literature Reference Author R.KUSANO,S.OGAWA,Y.MATSUO,T.TANAKA,Y.YAZAKI,I.KOUNO
Literature Reference Citation J.NAT.PROD.,74,119(2011)
Literature Reference DOI 10.1021/np100372t
Molecular Weight 578.529 g/mol
Sample ID 37615
Solvent CD3OD