Loganic Acid

CAS	22255-40-9
Structure
Synonyms	Norloganin
IUPAC Name	(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight	376.36
Molecular Formula	C16H24O10
Canonical SMILES	C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI	InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChI Key	JNNGEAWILNVFFD-CDJYTOATSA-N
Boiling Point	646.3±55.0 °C
Purity	98%
Density	1.60±0.1 g/ml
pKa	4.55±0.70
Appearance	Powder