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3,4,5-TRICAFFEOYLQUINIC ACID

3,4,5-TRICAFFEOYLQUINIC ACID

Name: 3,4,5-TRICAFFEOYLQUINIC ACID

CAS: 86632-03-3

Formula: C34 H30 O15

Weight: 678.596

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Name： 3,4,5-TRICAFFEOYLQUINIC ACID
CAS： 86632-03-3
Synonyms： 3,4,5-TRICAFFEOYLQUINIC ACID ; (3R,5R)-3,4,5-TRIS[[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY]-1-HYDROXYCYCLOHEXANECARBOXYLIC ACID
MDL.： MFCD09970462
H bond acceptor： 15
H bond donor： 8
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)OC(=O)/C=C/c4ccc(c(c4)O)O)(C(=O)O)O)O)O
InChi： InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1
InChiKey： InChIKey=OAFXTKGAKYAFSI-YOWOTECTSA-N

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