Description
Carpalasionin is a natural diterpenoid compound found in several plants.
Synonyms
(12R)-21-Acetyloxy-13-deoxy-5β-hydroxyenmein; (5beta,12alpha)-21-(Acetyloxy)-13-deoxy-5-hydroxyenmein
IUPAC Name
[(1S,4S,7R,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-7-yl]methyl acetate
Molecular Formula
C22H28O8
Canonical SMILES
CC(=O)OCC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C
InChI
InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16-,18-,20+,21+,22+/m1/s1
InChIKey
WORCTCAHGPHFQO-WEOPCBAZSA-N
Boiling Point
655.9±55.0 °C(Predicted)
pKa
12.58±0.60(Predicted)