CYNARIN ,30964-13-7 _Chemical Cloud Database

CYNARIN

Basic Information
Product Name：	CYNARIN
CAS：	30964-13-7 ;1884-23-7
English Synonyms：	CYNARIN ; CINARAN ; 1,3-DICAFFEOYLQUINIC ACID ; 1,5-DICAFFEOYLQUINIC ACID ; CINARINE
MDL Number.：	MFCD00075714
H bond acceptor：	12
H bond donor：	7
Smile：	c1cc(c(cc1/C=C\C(=O)O[C@H]2C[C@@](C[C@@H]([C@H]2O)O)(C(=O)O)OC(=O)/C=C/c3ccc(c(c3)O)O)O)O
InChi：	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3-,8-4+/t19-,20-,23+,25-/m0/s1
InChiKey：	InChIKey=YDDUMTOHNYZQPO-CZWHYVATSA-N

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