Catalog Number:
AG0039C2
Chemical Name:
Cryptochlorogenic acid
CAS Number:
905-99-7
Molecular Formula:
C16H18O9
Molecular Weight:
354.3087
MDL Number:
MFCD10566638
IUPAC Name:
(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1
InChI Key:
GYFFKZTYYAFCTR-AVXJPILUSA-N
SMILES:
O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O
UNII:
F23DJ84IZ9
