Description
Micranoic acid A isolated from the herbs of Kadsura angustifolia.
Synonyms
3-[(3aS,6S,7S,9aS,9bS)-7-Isopropenyl-3a,6,9b-trimethyl-3-oxo-2,3, 3a,4,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]prop anoic acid
IUPAC Name
3-[(3aS,6S,7S,9aS,9bS)-3a,6,9b-trimethyl-3-oxo-7-prop-1-en-2-yl-2,4,7,8,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular Formula
C22H32O3
Canonical SMILES
CC(=C)C1CCC2C(=CCC3(C2(CCC3=O)C)C)C1(C)CCC(=O)O
InChI
InChI=1S/C22H32O3/c1-14(2)15-6-7-17-16(20(15,3)11-10-19(24)25)8-12-22(5)18(23)9-13-21(17,22)4/h8,15,17H,1,6-7,9-13H2,2-5H3,(H,24,25)/t15-,17+,20-,21-,22+/m0/s1
Boiling Point
483.3±45.0 °C(Predicted)
Melting Point
87-88 °C(Solv: acetone (67-64-1))
Density
1.09±0.1 g/cm3(Predicted)