28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER

SpectraBase Compound ID	Afs2lF9DNli
InChI	InChI=1S/C52H84O21/c1-22-39(70-42-36(62)32(58)25(54)20-66-42)34(60)37(63)43(68-22)71-40-27(19-53)69-44(38(64)35(40)61)72-41-33(59)26(55)21-67-45(41)73-46(65)52-16-15-47(2,3)17-24(52)23-9-10-29-49(6)13-12-30(56)48(4,5)28(49)11-14-50(29,7)51(23,8)18-31(52)57/h9,22,24-45,53-64H,10-21H2,1-8H3/t22-,24?,25-,26+,27-,28?,29?,30+,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43-,44+,45+,49+,50-,51-,52-/m1/s1
InChIKey	GXNHWEJFORFTII-PAMOSGIDSA-N Google Search
Mol Weight	1045.2 g/mol
Molecular Formula	C52H84O21
Exact Mass	1044.55051 g/mol

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SpectraBase Spectrum ID	3fiWyVlYEG0
Name	28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-GLUCOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H84O21
InChI	InChI=1S/C52H84O21/c1-22-39(70-42-36(62)32(58)25(54)20-66-42)34(60)37(63)43(68-22)71-40-27(19-53)69-44(38(64)35(40)61)72-41-33(59)26(55)21-67-45(41)73-46(65)52-16-15-47(2,3)17-24(52)23-9-10-29-49(6)13-12-30(56)48(4,5)28(49)11-14-50(29,7)51(23,8)18-31(52)57/h9,22,24-45,53-64H,10-21H2,1-8H3/t22-,24?,25-,26+,27-,28?,29?,30+,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43-,44+,45+,49+,50-,51-,52-/m1/s1
InChIKey	GXNHWEJFORFTII-PAMOSGIDSA-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	1045.226 g/mol
Solvent	C5D5N
Source File Reference	UWVN1023