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4-BENZYLTHIOPROANTHOCYANIDIN-A2
SpectraBase Compound ID CKv1c079WLP
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-RRPBLOEHSA-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 BD57BrcFMCC
Name 4-BENZYLTHIOPROANTHOCYANIDIN-A2
Compound Number 3B
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-RRPBLOEHSA-N
Literature Reference Author A.M.BLADE,L.A.PIETERS,V.WRAY,H.KOLODZIEJ,D.A.V.BERGHE,M.CLAE YS,A.J.VLIETINCK
Literature Reference Citation PHYTOCHEM.,30,4129(1991)
Literature Reference DOI 10.1016/0031-9422(91)83480-9
Molecular Weight 698.698 g/mol
Solvent ACETONE-D6
Source File Reference UWLU28708