ISOCHLOROGENIC ACID C ,57378-72-0 _Chemical Cloud Database

ISOCHLOROGENIC ACID C

Basic Information
Product Name：	ISOCHLOROGENIC ACID C
CAS：	57378-72-0 ;32451-88-0 ;89919-62-0
English Synonyms：	4,5-DICAFFEOYLQUINIC ACID ; (1R,3R,4S,5R)-3,4-BIS[[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY]-1,5-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID ; (-)-3,5-DICAFFEOYL QUINIC ACID ; ISOCHLOROGENIC ACID C ; ISOCHLOROGENIC ACID C(4,5')
MDL Number.：	MFCD10566623
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]2OC(=O)/C=C/c3ccc(c(c3)O)O)O)(C(=O)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(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
InChiKey：	InChIKey=UFCLZKMFXSILNL-RVXRWRFUSA-N
Property
Comments：	APPEARANCE: PALE YELLOW POWDER
Safety information

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