AGERATOSIDE-A1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D

SpectraBase Compound ID	CmOSVLbkdYd
InChI	InChI=1S/C59H92O29/c1-23-40(82-24(2)62)42(85-50-44(73)58(77,21-61)22-80-50)39(72)48(81-23)86-43-35(68)29(65)20-79-49(43)88-52(76)59-14-13-53(3,4)15-26(59)25-9-10-31-54(5)16-27(63)45(57(8,51(74)75)32(54)11-12-55(31,6)56(25,7)17-33(59)66)87-47-38(71)36(69)41(30(18-60)83-47)84-46-37(70)34(67)28(64)19-78-46/h9,23,26-50,60-61,63-73,77H,10-22H2,1-8H3,(H,74,75)/t23-,26?,27-,28-,29-,30+,31?,32?,33+,34+,35-,36+,37-,38+,39+,40-,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,54+,55+,56+,57-,58+,59+/m0/s1
InChIKey	GWTPUBSURQRZBM-KHNZZAKZSA-N Google Search
Mol Weight	1265.4 g/mol
Molecular Formula	C59H92O29
Exact Mass	1264.572427 g/mol

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SpectraBase Spectrum ID	ByaInf7mGKb
Name	AGERATOSIDE-A1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA-TRIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C59H92O29
InChI	InChI=1S/C59H92O29/c1-23-40(82-24(2)62)42(85-50-44(73)58(77,21-61)22-80-50)39(72)48(81-23)86-43-35(68)29(65)20-79-49(43)88-52(76)59-14-13-53(3,4)15-26(59)25-9-10-31-54(5)16-27(63)45(57(8,51(74)75)32(54)11-12-55(31,6)56(25,7)17-33(59)66)87-47-38(71)36(69)41(30(18-60)83-47)84-46-37(70)34(67)28(64)19-78-46/h9,23,26-50,60-61,63-73,77H,10-22H2,1-8H3,(H,74,75)/t23-,26?,27-,28-,29-,30+,31?,32?,33+,34+,35-,36+,37-,38+,39+,40-,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,54+,55+,56+,57-,58+,59+/m0/s1
InChIKey	GWTPUBSURQRZBM-KHNZZAKZSA-N
Literature Reference Author	K.SAKAI,T.NAGAO,H.OKABE
Literature Reference Citation	PHYTOCHEM.,51,309(1999)
Literature Reference DOI	10.1016/S0031-9422(98)00766-3
Molecular Weight	1265.362 g/mol
Solvent	C5D5N
Source File Reference	UWUC278