Description
Maoyerabdosin is a diterpenoid compound found in the herbs of Isodon japonica.
Synonyms
(1beta,6beta,7alpha,15beta,16alpha)-7,20-Epoxykaurane-1,6,7,15,16,17-hexol 6,17-diacetate
IUPAC Name
[(1S,2S,5R,6S,7S,8S,9S,10S,11R,15R)-10-acetyloxy-6,7,9,15-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-6-yl]methyl acetate
Molecular Formula
C24H36O9
Canonical SMILES
CC(=O)OCC1(C2CCC3C(C2)(C1O)C4(C(C5C3(CO4)C(CCC5(C)C)O)OC(=O)C)O)O
InChI
InChI=1S/C24H36O9/c1-12(25)31-11-23(29)14-5-6-15-21-10-32-24(30,22(15,9-14)19(23)28)18(33-13(2)26)17(21)20(3,4)8-7-16(21)27/h14-19,27-30H,5-11H2,1-4H3/t14-,15+,16-,17-,18+,19+,21-,22+,23-,24-/m1/s1
InChIKey
CMGWGNNIXJOCTA-ZEHIXQIYSA-N
Boiling Point
607.4±55.0 °C(Predicted)
Density
1.39±0.1 g/cm3(Predicted)
pKa
11.52±0.70(Predicted)