Description
Taraxerol, isolated from the herb of Taraxacum mongolicum Hand. Mazz., is a cancer chemopreventive agent.
Synonyms
alnulin; D-Friedoolean-14-en-3beta-ol; skimmiol; (3β,13α)-13-Methyl-27-norolean-14-en-3-ol; (3β)-D-Friedoolean-14-en-3-ol
IUPAC Name
(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Molecular Formula
C30H50O
Canonical SMILES
CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1
InChIKey
GGGUGZHBAOMSFJ-GADYQYKKSA-N
Boiling Point
490.7±44.0 °C(Predicted)
Density
1.01±0.1 g/cm3(Predicted)
Solubility
Soluble in methanol, ethanol, DMSO and other organic solvents
Application
AChE activity; antiulcer
Definition
ChEBI: A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15.
pKa
15.19±0.70(Predicted)