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ClINOPODISIDE-E;16-BETA-PROPIONYL-3-BETA,23-DIHYDROXY-OLEANA-11,21-DIEN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-F
SpectraBase Compound ID EkfgnTH1XhH
InChI InChI=1S/C51H80O19/c1-9-32(55)67-31-19-49(8)48(7)14-10-27-46(5,28(48)11-15-51(49)29-18-45(3,4)16-17-50(29,31)23-63-51)13-12-30(47(27,6)22-54)68-44-41(70-43-39(62)37(60)35(58)26(21-53)66-43)40(33(56)24(2)64-44)69-42-38(61)36(59)34(57)25(20-52)65-42/h11,15-17,24-31,33-44,52-54,56-62H,9-10,12-14,18-23H2,1-8H3/t24?,25?,26?,27?,28?,29?,30-,31-,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,46-,47-,48+,49-,50+,51-/m0/s1
InChIKey ZXELKVPHQBZYBY-GHDNYBCISA-N
Mol Weight 997.2 g/mol
Molecular Formula C51H80O19
Exact Mass 996.52938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNPqtGKUUMy
Name ClINOPODISIDE-E;16-BETA-PROPIONYL-3-BETA,23-DIHYDROXY-OLEANA-11,21-DIEN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-F
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H80O19
InChI InChI=1S/C51H80O19/c1-9-32(55)67-31-19-49(8)48(7)14-10-27-46(5,28(48)11-15-51(49)29-18-45(3,4)16-17-50(29,31)23-63-51)13-12-30(47(27,6)22-54)68-44-41(70-43-39(62)37(60)35(58)26(21-53)66-43)40(33(56)24(2)64-44)69-42-38(61)36(59)34(57)25(20-52)65-42/h11,15-17,24-31,33-44,52-54,56-62H,9-10,12-14,18-23H2,1-8H3/t24?,25?,26?,27?,28?,29?,30-,31-,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,46-,47-,48+,49-,50+,51-/m0/s1
InChIKey ZXELKVPHQBZYBY-GHDNYBCISA-N
Literature Reference Author Z.LIU,D.LI,N.L.OWEN,D.M.GRANT,R.G.CATES,Z.JIA
Literature Reference Citation J.NAT.PROD.,58,1600(1995)
Literature Reference DOI 10.1021/np50124a021
Molecular Weight 997.185 g/mol
Solvent C5D5N
Source File Reference UWSP10120