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ARALIASAPONIN-XVIII-METHYLESTER;3-O-ALPHA-L-ARABINOFURANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28
SpectraBase Compound ID DMjIdqEAtJY
InChI InChI=1S/C60H96O28/c1-55(2)15-17-60(54(77)88-52-43(74)39(70)36(67)29(83-52)23-79-49-41(72)37(68)33(64)26(20-61)80-49)18-16-58(6)24(25(60)19-55)9-10-31-57(5)13-12-32(56(3,4)30(57)11-14-59(31,58)7)84-53-46(86-51-42(73)38(69)34(65)27(21-62)81-51)44(75)45(47(87-53)48(76)78-8)85-50-40(71)35(66)28(22-63)82-50/h9,25-47,49-53,61-75H,10-23H2,1-8H3/t25?,26-,27-,28-,29-,30?,31?,32?,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,49-,50-,51+,52+,53-,57?,58?,59?,60?/m1/s1
InChIKey VTPKPCXSSRHFKT-ADVWPZNLSA-N
Mol Weight 1265.4 g/mol
Molecular Formula C60H96O28
Exact Mass 1264.608812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIDsRlUZBsm
Name ARALIASAPONIN-XVIII-METHYLESTER;3-O-ALPHA-L-ARABINOFURANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-OLEANOLIC-ACID-28
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H96O28
InChI InChI=1S/C60H96O28/c1-55(2)15-17-60(54(77)88-52-43(74)39(70)36(67)29(83-52)23-79-49-41(72)37(68)33(64)26(20-61)80-49)18-16-58(6)24(25(60)19-55)9-10-31-57(5)13-12-32(56(3,4)30(57)11-14-59(31,58)7)84-53-46(86-51-42(73)38(69)34(65)27(21-62)81-51)44(75)45(47(87-53)48(76)78-8)85-50-40(71)35(66)28(22-63)82-50/h9,25-47,49-53,61-75H,10-23H2,1-8H3/t25?,26-,27-,28-,29-,30?,31?,32?,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,49-,50-,51+,52+,53-,57?,58?,59?,60?/m1/s1
InChIKey VTPKPCXSSRHFKT-ADVWPZNLSA-N
Literature Reference Author T.MIYASE,N.SUTOH,D.M.ZHANG,A.UENO
Literature Reference Citation PHYTOCHEM.,42,1123(1996)
Literature Reference DOI 10.1016/0031-9422(96)00085-4
Molecular Weight 1265.405 g/mol
Solvent C5D5N
Source File Reference UWVN2967