CYNARIN ,1182-34-9 _Chemical Cloud Database

CYNARIN

Basic Information
Product Name：	CYNARIN
CAS：	1182-34-9
English Synonyms：	1,4-DICAFFEOYLQUINIC ACID ; CYNARIN
MDL Number.：	MFCD13196510
H bond acceptor：	12
H bond donor：	7
Smile：	c1cc(c(cc1/C=C/C(=O)O[C@H]2[C@H](C[C@@](C[C@@H]2O)(C(=O)O)OC(=O)/C=C/c3ccc(c(c3)O)O)O)O)O
InChi：	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1
InChiKey：	InChIKey=IYXQRCXQQWUFQV-ZSGFIFMUSA-N
Property
Comments：	APPEARANCE: WHITE CRYSTALS
Safety information
WGK Germany：	3

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