Isochlorogenic acid B

Datasheet MSDS
Catalog Number
ANC04116
Product Name
Isochlorogenic acid B
CAS Number
14534-61-3
IUPAC Name
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Synonyms
(1S,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylicacid; 3,4-Dicaffeoylquinicacid; (1S)-1α,5α-Dihydroxy-3β,4α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β-cyclohexanecarboxylicacid; (1S)-4β,5α
Molecular Formula
C25H24O12
Molecular Weight
516.45
Appearance
White powder
Purity
>98%
Solubility
Soluble in DMSO
Boiling Point
810.8±65.0°C|Condition: Press: 760 Torr
Storage
Store in a cool and dry place and at 0-4°C for short term (days to weeks) or -67°C for long term (months to years).
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
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
InChI Key
UFCLZKMFXSILNL-PSEXTPKNSA-N
Inquiry

new products