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4-BENZYLTHIOPROANTHOCYANIDIN-A2

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4-BENZYLTHIOPROANTHOCYANIDIN-A2
SpectraBase Compound ID Jhj6sOZOEyf
InChI InChI=1S/C37H30O12S/c38-19-12-24(43)28-26(13-19)48-37(18-7-9-21(40)23(42)11-18)36(46)31(28)30-27(49-37)14-25(44)29-34(30)47-33(17-6-8-20(39)22(41)10-17)32(45)35(29)50-15-16-4-2-1-3-5-16/h1-14,31-33,35-36,38-46H,15H2/t31-,32+,33-,35?,36-,37+/m1/s1
InChIKey UDKCWWQONROGEO-QWSSEKSASA-N
Mol Weight 698.7 g/mol
Molecular Formula C37H30O12S
Exact Mass 698.145798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5W2z8D8Twk
Name 4-BENZYLTHIOPROANTHOCYANIDIN-A2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H30O12S
InChI InChI=1S/C37H30O12S/c38-19-12-24(43)28-26(13-19)48-37(18-7-9-21(40)23(42)11-18)36(46)31(28)30-27(49-37)14-25(44)29-34(30)47-33(17-6-8-20(39)22(41)10-17)32(45)35(29)50-15-16-4-2-1-3-5-16/h1-14,31-33,35-36,38-46H,15H2/t31-,32+,33-,35?,36-,37+/m1/s1
InChIKey UDKCWWQONROGEO-QWSSEKSASA-N
Literature Reference Author E.L.ROUX,T.DOCO,P.SARNI-MANCHADO,Y.LOZANO,V.CHEYNIER
Literature Reference Citation PHYTOCHEM.,48,1251(1998)
Literature Reference DOI 10.1016/S0031-9422(97)01070-4
Molecular Weight 698.698 g/mol
Solvent CD3OD
Source File Reference UWMS1461