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3-O-BETA-[GLUCOPYRANOSYL-(1->2)-XYLOPYRANOSYL-(1->3)-[GLUCOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
SpectraBase Compound ID Inhq1qyXDQa
InChI InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-50-41(73)38(70)35(67)28(21-62)81-50)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)82-52-46(86-49-40(72)37(69)34(66)27(20-61)80-49)43(42(74)44(84-52)47(75)76)83-51-45(32(64)25(63)22-78-51)85-48-39(71)36(68)33(65)26(19-60)79-48/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24?,25-,26-,27+,28-,29?,30?,31+,32+,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46-,48+,49-,50+,51+,52-,56+,57-,58-,59+/m1/s1
InChIKey HZBHCPVDRDPDEC-HOLCMAMKSA-N
Mol Weight 1251.4 g/mol
Molecular Formula C59H94O28
Exact Mass 1250.593162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgvdNrP4MUe
Name 3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-28-O-BETA-D-GLUCOPYRANOSYL-
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H94O28
InChI InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-50-41(73)38(70)35(67)28(21-62)81-50)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)82-52-46(86-49-40(72)37(69)34(66)27(20-61)80-49)43(42(74)44(84-52)47(75)76)83-51-45(32(64)25(63)22-78-51)85-48-39(71)36(68)33(65)26(19-60)79-48/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24?,25-,26-,27+,28-,29?,30?,31+,32+,33-,34+,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45-,46-,48+,49-,50+,51+,52-,56+,57-,58-,59+/m1/s1
InChIKey HZBHCPVDRDPDEC-HOLCMAMKSA-N
Literature Reference Author C.LAVAUD,S.BEAUVIERE,G.MASSIOT,L.L.MEN-OLIVIER,G.BOURDY
Literature Reference Citation PHYTOCHEM.,43,189(1996)
Literature Reference DOI 10.1016/0031-9422(96)00253-1
Molecular Weight 1251.379 g/mol
Solvent CD3OD
Source File Reference UWMS1933