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IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
SpectraBase Compound ID 3LplFyi90JP
InChI InChI=1S/C58H86O18/c1-31(59)39-21-24-58(63)56(39,7)45(73-46(60)18-17-36-15-13-12-14-16-36)30-44-55(6)22-20-38(25-37(55)19-23-57(44,58)62)72-47-27-41(65-9)52(33(3)69-47)75-49-29-43(67-11)54(35(5)71-49)76-50-28-42(66-10)53(34(4)70-50)74-48-26-40(64-8)51(61)32(2)68-48/h12-19,32-35,38-45,47-54,61-63H,20-30H2,1-11H3/b18-17+/t32-,33+,34+,35-,38-,39-,40+,41-,42+,43+,44+,45+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56-,57-,58+/m0/s1
InChIKey CZSZZIVBRWCEHJ-JEVXIIGYSA-N
Mol Weight 1071.3 g/mol
Molecular Formula C58H86O18
Exact Mass 1070.581416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyloI56x6D
Name IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H86O18
InChI InChI=1S/C58H86O18/c1-31(59)39-21-24-58(63)56(39,7)45(73-46(60)18-17-36-15-13-12-14-16-36)30-44-55(6)22-20-38(25-37(55)19-23-57(44,58)62)72-47-27-41(65-9)52(33(3)69-47)75-49-29-43(67-11)54(35(5)71-49)76-50-28-42(66-10)53(34(4)70-50)74-48-26-40(64-8)51(61)32(2)68-48/h12-19,32-35,38-45,47-54,61-63H,20-30H2,1-11H3/b18-17+/t32-,33+,34+,35-,38-,39-,40+,41-,42+,43+,44+,45+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56-,57-,58+/m0/s1
InChIKey CZSZZIVBRWCEHJ-JEVXIIGYSA-N
Literature Reference Author F.ABE,T.YAMAUCHI
Literature Reference Citation CHEM.PHARM.BULL.,48,1017(2000)
Literature Reference DOI 10.1248/cpb.48.1017
Molecular Weight 1071.310 g/mol
Solvent C5D5N
Source File Reference UWVN4355