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5-ALPHA-THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE
SpectraBase Compound ID 1gHltK2yCIm
InChI InChI=1S/C42H64O18/c1-17-22(19-11-28(44)54-15-19)8-10-42(52)23-6-5-20-12-21(7-9-41(20,3)25(23)13-24(17)42)57-40-35(51)37(53-4)36(18(2)56-40)60-39-34(50)32(48)30(46)27(59-39)16-55-38-33(49)31(47)29(45)26(14-43)58-38/h11,18,20-27,29-40,43,45-52H,1,5-10,12-16H2,2-4H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1
InChIKey HBAVPWHKFSXASX-IIXKPMNDSA-N
Mol Weight 857.0 g/mol
Molecular Formula C42H64O18
Exact Mass 856.409265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAg8nJNWki2
Name 5-ALPHA-THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O18
InChI InChI=1S/C42H64O18/c1-17-22(19-11-28(44)54-15-19)8-10-42(52)23-6-5-20-12-21(7-9-41(20,3)25(23)13-24(17)42)57-40-35(51)37(53-4)36(18(2)56-40)60-39-34(50)32(48)30(46)27(59-39)16-55-38-33(49)31(47)29(45)26(14-43)58-38/h11,18,20-27,29-40,43,45-52H,1,5-10,12-16H2,2-4H3/t18-,20-,21-,22-,23+,24-,25-,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,40-,41-,42-/m0/s1
InChIKey HBAVPWHKFSXASX-IIXKPMNDSA-N
Literature Reference Author F.ABE,T.YAMAUCHI,S.YAHARA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,37,1429(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90426-6
Molecular Weight 856.959 g/mol
Solvent C5D5N
Source File Reference UWMS23615