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2'-GENTISOYL-GELIDOSIDE
SpectraBase Compound ID DqkejQwvWgW
InChI InChI=1S/C40H44O23/c1-4-21-37(56-14-22-36(52)54-11-10-40(21,22)53)63-39-33(62-35(51)20-12-18(44)8-9-23(20)45)32(57-17(3)43)31(26(60-39)15-55-16(2)42)61-34(50)19-6-5-7-24(27(19)46)58-38-30(49)29(48)28(47)25(13-41)59-38/h4-9,12,14,21,25-26,28-33,37-39,41,44-49,53H,1,10-11,13,15H2,2-3H3/t21-,25+,26-,28+,29-,30+,31-,32+,33-,37-,38+,39+,40+/m0/s1
InChIKey UDMJOEXVFLSODB-UFMNFTKWSA-N
Mol Weight 892.8 g/mol
Molecular Formula C40H44O23
Exact Mass 892.227338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPf5S8r7Vqx
Name 2'-GENTISOYL-GELIDOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44O23
InChI InChI=1S/C40H44O23/c1-4-21-37(56-14-22-36(52)54-11-10-40(21,22)53)63-39-33(62-35(51)20-12-18(44)8-9-23(20)45)32(57-17(3)43)31(26(60-39)15-55-16(2)42)61-34(50)19-6-5-7-24(27(19)46)58-38-30(49)29(48)28(47)25(13-41)59-38/h4-9,12,14,21,25-26,28-33,37-39,41,44-49,53H,1,10-11,13,15H2,2-3H3/t21-,25+,26-,28+,29-,30+,31-,32+,33-,37-,38+,39+,40+/m0/s1
InChIKey UDMJOEXVFLSODB-UFMNFTKWSA-N
Literature Reference Author R.X.TAN,L.D.KONG
Literature Reference Citation PHYTOCHEM.,46,1035(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00225-2
Molecular Weight 892.776 g/mol
Sample ID 65436
Solvent CD3OD