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GLYCOSIDE-A;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 1DniELnfegw
InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,44+,45-,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey YSCJAYPKBYRXEZ-JMWLCXTFSA-N
Mol Weight 1119.3 g/mol
Molecular Formula C54H86O24
Exact Mass 1118.550904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMoc8Ktu1b1
Name GLYCOSIDE-A;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
Compound Number 55
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O24
InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25+,26-,27?,28?,29+,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,44+,45-,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey YSCJAYPKBYRXEZ-JMWLCXTFSA-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 1119.262 g/mol
Solvent C5D5N
Source File Reference UWVN1239