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ARALIASAPONIN-XVII-DIMETHYLESTER;3-O-ALPHA-L-ARABINOFURANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-D
SpectraBase Compound ID 1Il7G5RVIk4
InChI InChI=1S/C49H78O18/c1-44(2)16-18-49(43(59)61-9)19-17-47(6)23(24(49)20-44)10-11-28-46(5)14-13-29(45(3,4)27(46)12-15-48(28,47)7)64-42-37(66-41-34(56)32(54)30(52)25(21-50)62-41)35(57)36(38(67-42)39(58)60-8)65-40-33(55)31(53)26(22-51)63-40/h10,24-38,40-42,50-57H,11-22H2,1-9H3/t24?,25-,26-,27?,28?,29?,30-,31-,32+,33+,34-,35+,36+,37-,38+,40-,41+,42-,46?,47?,48?,49?/m1/s1
InChIKey PLZRSHBDUZLMPJ-NRVAKUPESA-N
Mol Weight 955.1 g/mol
Molecular Formula C49H78O18
Exact Mass 954.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASOIb5Lg34m
Name ARALIASAPONIN-XVII-DIMETHYLESTER;3-O-ALPHA-L-ARABINOFURANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-D
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H78O18
InChI InChI=1S/C49H78O18/c1-44(2)16-18-49(43(59)61-9)19-17-47(6)23(24(49)20-44)10-11-28-46(5)14-13-29(45(3,4)27(46)12-15-48(28,47)7)64-42-37(66-41-34(56)32(54)30(52)25(21-50)62-41)35(57)36(38(67-42)39(58)60-8)65-40-33(55)31(53)26(22-51)63-40/h10,24-38,40-42,50-57H,11-22H2,1-9H3/t24?,25-,26-,27?,28?,29?,30-,31-,32+,33+,34-,35+,36+,37-,38+,40-,41+,42-,46?,47?,48?,49?/m1/s1
InChIKey PLZRSHBDUZLMPJ-NRVAKUPESA-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 955.148 g/mol
Solvent C5D5N
Source File Reference UWVN2966