POLYSCIOSIDE-B-DIMETHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-ME

SpectraBase Compound ID	1kBwQbIvIY2
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(66-40-33(55)30(52)25(51)22-62-40)35(57)36(38(67-42)39(58)60-8)65-41-34(56)32(54)31(53)26(21-50)63-41/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	KFHKJVJFAQCIPJ-NYLFRXIPSA-N Google Search
Mol Weight	955.1 g/mol
Molecular Formula	C49H78O18
Exact Mass	954.518816 g/mol

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SpectraBase Spectrum ID	FbDBxDK8lLF
Name	POLYSCIOSIDE-B-DIMETHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-ME
Compound Number	4A
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(66-40-33(55)30(52)25(51)22-62-40)35(57)36(38(67-42)39(58)60-8)65-41-34(56)32(54)31(53)26(21-50)63-41/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	KFHKJVJFAQCIPJ-NYLFRXIPSA-N
Literature Reference Author	V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU
Literature Reference Citation	PHYTOCHEM.,47,451(1998)
Literature Reference DOI	10.1016/S0031-9422(97)00618-3
Molecular Weight	955.148 g/mol
Solvent	C5D5N
Source File Reference	UWMS189