Description
Coccinic acid isolated from the roots of Kadsura coccinea.
Synonyms
3-(Benzoyloxy)-2-(Methoxycarbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid;Lanosta-9(11),24-dien-26-oic acid, 3-oxo-, (24E)-
IUPAC Name
3-benzoyloxy-2-methoxycarbonyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid
Molecular Formula
C30H46O3
Canonical SMILES
COC(=O)C1C2CCC(N2C(=O)O)CC1OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO6/c1-23-16(20)14-12-8-7-11(18(12)17(21)22)9-13(14)24-15(19)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,21,22)
InChIKey
PNJFEOGCMIEFTL-UHFFFAOYSA-N
Boiling Point
565.4±43.0 °C(Predicted)
Density
1.06±0.1 g/cm3(Predicted)