Description
Andropanolide is a natural diterpenoid found in the herbs of Andrographis paniculata (Burm. f.) Nees.
Synonyms
Isoandrographolide
IUPAC Name
(3Z,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Molecular Formula
C20H30O5
Canonical SMILES
CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
InChI
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
InChIKey
BOJKULTULYSRAS-QPSYGYIJSA-N
Boiling Point
557.3±50.0 °C(Predicted)
Melting Point
210-211 °C(Solv: methanol (67-56-1))
Density
1.21±0.1 g/cm3(Predicted)
pKa
12.36±0.20(Predicted)