TRICORNOSE_H;#16;3-O-(E)-SINAPOYL-[4-O-(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E-SINAPOYL

SpectraBase Compound ID	78kWeYPdxt5
InChI	InChI=1S/C57H72O33/c1-75-27-13-24(14-28(76-2)40(27)65)7-10-37(62)81-22-36-44(69)46(71)52(88-55-49(74)47(72)50(34(20-59)83-55)87-54-48(73)45(70)43(68)33(19-58)82-54)56(84-36)90-57(23-61)53(86-39(64)12-9-26-17-31(79-5)42(67)32(18-26)80-6)51(35(21-60)89-57)85-38(63)11-8-25-15-29(77-3)41(66)30(16-25)78-4/h7-18,33-36,43-56,58-61,65-74H,19-23H2,1-6H3/b10-7+,11-8+,12-9+/t33-,34+,35-,36+,43-,44+,45+,46-,47+,48-,49+,50+,51-,52+,53+,54+,55-,56+,57+/m0/s1
InChIKey	RHOVZINNLPFQSE-COASEGJCSA-N Google Search
Mol Weight	1285.2 g/mol
Molecular Formula	C57H72O33
Exact Mass	1284.395585 g/mol

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SpectraBase Spectrum ID	4kdo6b0qmL2
Name	TRICORNOSE_H;#16;3-O-(E)-SINAPOYL-[4-O-(E)-SINAPOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->2)]-[6-O-(E-SINAPOYL
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C57H72O33
InChI	InChI=1S/C57H72O33/c1-75-27-13-24(14-28(76-2)40(27)65)7-10-37(62)81-22-36-44(69)46(71)52(88-55-49(74)47(72)50(34(20-59)83-55)87-54-48(73)45(70)43(68)33(19-58)82-54)56(84-36)90-57(23-61)53(86-39(64)12-9-26-17-31(79-5)42(67)32(18-26)80-6)51(35(21-60)89-57)85-38(63)11-8-25-15-29(77-3)41(66)30(16-25)78-4/h7-18,33-36,43-56,58-61,65-74H,19-23H2,1-6H3/b10-7+,11-8+,12-9+/t33-,34+,35-,36+,43-,44+,45+,46-,47+,48-,49+,50+,51-,52+,53+,54+,55-,56+,57+/m0/s1
InChIKey	RHOVZINNLPFQSE-COASEGJCSA-N
Literature Reference Author	J.LI,Y.JIANG,P.F.TU
Literature Reference Citation	J.NAT.PROD.,68,739(2005)
Literature Reference DOI	10.1021/np050023x
Molecular Weight	1285.179 g/mol
Solvent	CD3OD