Description
Longikaurin E is isolated from the herbs of Rabdosia nervosa. It could be a promising anti-pancreatic agent.
Synonyms
11α-Acetoxy-7α,20-epoxy-6β,7-dihydroxykaur-16-en-15-one; (4aR,5S,6R,6aS,9S,11R,11aS,11bS)-5,6-dihydroxy-4,4-dimethyl-8-methylene-7-oxododecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-11-yl acetate
IUPAC Name
[(1S,2S,3R,5S,8S,9R,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate
Molecular Formula
C22H30O6
Canonical SMILES
CC(=O)OC1CC2CC3(C1C45CCCC(C4C(C3(OC5)O)O)(C)C)C(=O)C2=C
InChI
InChI=1S/C22H30O6/c1-11-13-8-14(28-12(2)23)15-20-7-5-6-19(3,4)16(20)18(25)22(26,27-10-20)21(15,9-13)17(11)24/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14-,15+,16-,18+,20-,21+,22+/m1/s1
InChIKey
VLCMAXYGZMNIMT-FXWPFGNKSA-N
Boiling Point
540.1±50.0 °C(Predicted)
Density
1.31±0.1 g/cm3(Predicted)
Application
antibacterial;
pKa
11.09±0.70(Predicted)