3,5-DI-O-CAFFEOYLQUINIC ACID

CAS No.
89919-62-0
CCD No.
CCD02755245
Formula
C25 H24 O12
MolWeight
516.453

Basic Information

Product Name: 3,5-DI-O-CAFFEOYLQUINIC ACID
CAS: 89919-62-0
English Synonyms: 3,5-DI-O-CAFFEOYLQUINIC ACID ; (-)-3,5-DICAFFEOYL QUINIC ACID
MDL Number.: MFCD16294090
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)OC(=O)/C=C/c3cc(cc(c3)O)O)(C(=O)O)O)O)O
InChi: InChI=1S/C25H24O12/c26-15-7-14(8-16(27)10-15)3-6-22(31)37-20-12-25(35,24(33)34)11-19(23(20)32)36-21(30)5-2-13-1-4-17(28)18(29)9-13/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b5-2+,6-3+/t19-,20-,23-,25+/m1/s1
InChiKey: InChIKey=ANQFOPPBTWJXIJ-APCOFQPJSA-N

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