FCMD
Food Contact Materials Database
Isochlorogenic acid B
3,4-二咖啡酰奎宁酸, Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-, 4,5-di-O-trans-caffeoyl-D-quinic acid, Quinic acid 3,4-di-O-caffeate, (1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid, IsochlorogenicacidB, (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2E)-3-(3,5-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid, ISOCHLOROGENIC ACID B(RG), (1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid, (1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4-[[(2E)-3-(3,5-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-, 3,4-Dicaffeoylquinic acid, 4,5-di-O-caffeoylquinic acid, 4,5-di-O-trans-caffeoylquininc acid, 3,4-Di-O-caffeoylquinic acid, Isochlorogenic acid B(3,4'), Isochlorogenic acid B
CAS Number: 14534-61-3
IUPAC name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Molecular formula: C25H24O12
Molecular weight: 516.451
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: UFCLZKMFXSILNL-RVXRWRFUSA-N
SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
EINECS: -
