AGERATOSIDE-C1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-2

SpectraBase Compound ID	9My79YPdTp
InChI	InChI=1S/C41H62O16/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(57-33-29(49)27(47)30(21(15-42)54-33)56-32-28(48)26(46)20(44)16-53-32)40(6,34(50)51)23(37)9-10-38(22,4)39(17,5)13-24(45)41(18)14-25(36)55-35(41)52/h7,18-33,42-49H,8-16H2,1-6H3,(H,50,51)/t18?,19-,20-,21+,22?,23?,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,37+,38+,39+,40-,41+/m0/s1
InChIKey	VNVQGMPVWXBPFO-AOHOCODSSA-N Google Search
Mol Weight	810.9 g/mol
Molecular Formula	C41H62O16
Exact Mass	810.403786 g/mol

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SpectraBase Spectrum ID	C5tkmnb6mdR
Name	AGERATOSIDE-C1;3-O-[O-BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-BETA,3-BETA,16-ALPHA,21-BETA-TETRAHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-2
Compound Number	8
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C41H62O16
InChI	InChI=1S/C41H62O16/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(57-33-29(49)27(47)30(21(15-42)54-33)56-32-28(48)26(46)20(44)16-53-32)40(6,34(50)51)23(37)9-10-38(22,4)39(17,5)13-24(45)41(18)14-25(36)55-35(41)52/h7,18-33,42-49H,8-16H2,1-6H3,(H,50,51)/t18?,19-,20-,21+,22?,23?,24+,25-,26+,27+,28-,29+,30+,31-,32+,33-,37+,38+,39+,40-,41+/m0/s1
InChIKey	VNVQGMPVWXBPFO-AOHOCODSSA-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	810.934 g/mol
Solvent	C5D5N
Source File Reference	UWUC285