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ILEXOSIDE-XLVIII;3-O-BETA-GLUCURONOPYRANOSYL-HEDERAGENIN-28-O-GLUCOPYRANOSYLESTER
SpectraBase Compound ID AEDk7zBDqgE
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1
InChIKey RZQHWSDMLZHIRN-MCTPBCADSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SK28TNMVDb
Name ILEXOSIDE-L;3-O-BETA-GLUCURONOPYRANOSYL-BREDEMOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
Compound Number 95
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1
InChIKey RZQHWSDMLZHIRN-MCTPBCADSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 810.977 g/mol
Solvent C5D5N
Source File Reference UWVN1006