SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL

SpectraBase Compound ID	BHJ015lgwJB
InChI	InChI=1S/C57H90O26/c1-22-41(79-47-40(70)42(27(60)21-75-47)80-46-37(67)32(62)25(58)19-74-46)36(66)39(69)48(77-22)82-44-33(63)26(59)20-76-50(44)83-51(73)57-16-15-52(2,3)17-24(57)23-9-10-29-54(6)13-12-31(78-49-38(68)34(64)35(65)43(81-49)45(71)72)53(4,5)28(54)11-14-55(29,7)56(23,8)18-30(57)61/h9,22,24-44,46-50,58-70H,10-21H2,1-8H3,(H,71,72)/t22-,24?,25-,26+,27-,28?,29?,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-,44+,46+,47+,48-,49+,50-,54-,55+,56+,57+/m0/s1
InChIKey	BYBNLTUPSXGVAV-NDMFBZEVSA-N Google Search
Mol Weight	1191.3 g/mol
Molecular Formula	C57H90O26
Exact Mass	1190.572033 g/mol

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SpectraBase Spectrum ID	4QsyFNVAcrz
Name	SHIMADOSIDE-A;3-O-BETA-[GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL
Compound Number	97
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C57H90O26
InChI	InChI=1S/C57H90O26/c1-22-41(79-47-40(70)42(27(60)21-75-47)80-46-37(67)32(62)25(58)19-74-46)36(66)39(69)48(77-22)82-44-33(63)26(59)20-76-50(44)83-51(73)57-16-15-52(2,3)17-24(57)23-9-10-29-54(6)13-12-31(78-49-38(68)34(64)35(65)43(81-49)45(71)72)53(4,5)28(54)11-14-55(29,7)56(23,8)18-30(57)61/h9,22,24-44,46-50,58-70H,10-21H2,1-8H3,(H,71,72)/t22-,24?,25-,26+,27-,28?,29?,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43-,44+,46+,47+,48-,49+,50-,54-,55+,56+,57+/m0/s1
InChIKey	BYBNLTUPSXGVAV-NDMFBZEVSA-N
Literature Reference Author	N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation	PHYTOCHEM.,52,153(1999)
Literature Reference DOI	10.1016/S0031-9422(98)00454-3
Molecular Weight	1191.326 g/mol
Solvent	C5D5N
Source File Reference	UWVN1344