Description
14-Deoxy-11-hydroxyandrographolide is a natural diterpenoid found in the herbs of Andrographis paniculata (Burm. f.) Nees.
Synonyms
2-Methyl-2-propanyl [(2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenyl -2-butanyl]carbamate
IUPAC Name
4-[(2R)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-2H-furan-5-one
Molecular Formula
C20H30O5
Canonical SMILES
CC12CCC(C(C1CCC(=C)C2C(CC3=CCOC3=O)O)(C)CO)O
InChI
InChI=1S/C20H30O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16-,17+,19-,20+/m1/s1
InChIKey
BNLCOXWUZAOLDT-JLEOBMEESA-N
Boiling Point
552.4±50.0 °C(Predicted)
Density
1.21±0.1 g/cm3(Predicted)
pKa
14.28±0.20(Predicted)