ISOCHLOROGENIC ACID B ,14534-61-3 _Chemical Cloud Database

ISOCHLOROGENIC ACID B

Basic Information
Product Name：	ISOCHLOROGENIC ACID B
CAS：	14534-61-3
English Synonyms：	ISOCHLOROGENIC ACID B ; 3,4-DICAFFEOYLQUINIC ACID ; (1S,3R,4R,5R)-3,4-BIS[[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY]-1,5-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID ; ISOCHLOROGENIC ACID B(3,4')
MDL Number.：	MFCD08272439
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/c3cc(cc(c3)O)O)O)(C(=O)O)O)O)O
InChi：	InChI=1S/C25H24O12/c26-15-7-14(8-16(27)10-15)3-6-22(32)37-23-19(30)11-25(35,24(33)34)12-20(23)36-21(31)5-2-13-1-4-17(28)18(29)9-13/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b5-2+,6-3+/t19-,20-,23-,25+/m1/s1
InChiKey：	InChIKey=LZCZBWWWZFZYMM-APCOFQPJSA-N
Property
Comments：	APPEARANCE: WHITE SOLID
Safety information

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