SCROCAFFESIDE-A;(E)-CAFFEOYL-6-O-[4-O-(BETA-D-GLUCOPYRANOSYL)-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSIDE

SpectraBase Compound ID	Ic70lMakjwN
InChI	InChI=1S/C30H34O17/c31-11-19-23(37)25(39)27(41)29(45-19)44-18-6-2-14(10-17(18)34)3-7-21(35)43-12-20-24(38)26(40)28(42)30(46-20)47-22(36)8-4-13-1-5-15(32)16(33)9-13/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey	OZGQTDMHYUJDIW-VYIFUXKPSA-N Google Search
Mol Weight	666.6 g/mol
Molecular Formula	C30H34O17
Exact Mass	666.1796 g/mol

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SpectraBase Spectrum ID	Li4bA1ExCJr
Name	SCROCAFFESIDE-A;(E)-CAFFEOYL-6-O-[4-O-(BETA-D-GLUCOPYRANOSYL)-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSIDE
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C30H34O17
InChI	InChI=1S/C30H34O17/c31-11-19-23(37)25(39)27(41)29(45-19)44-18-6-2-14(10-17(18)34)3-7-21(35)43-12-20-24(38)26(40)28(42)30(46-20)47-22(36)8-4-13-1-5-15(32)16(33)9-13/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey	OZGQTDMHYUJDIW-VYIFUXKPSA-N
Literature Reference Author	T.F.ZHU,K.Y.HUANG,X.M.DENG,Y.ZHANG,H.XIANG,H.Y.GAO,D.C.WANG
Literature Reference Citation	MOLECULES,13,729(2008)
Literature Reference DOI	10.3390/molecules13040729
Molecular Weight	666.590 g/mol
Sample ID	38520
Solvent	DMSO-D6