3-Oxo-olean-12-en-28-oic acid
IUPAC 名称
(4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
描述
3-oxo-olean-12-en-28-oic acid is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 3-oxo-olean-12-en-28-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxo-olean-12-en-28-oic acid can be found in common grape, which makes 3-oxo-olean-12-en-28-oic acid a potential biomarker for the consumption of this food product.
异构
[H]C12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CCC2([H])[C@@]3(C)CCC(=O)C(C)(C)C3([H])CC[C@@]12C)C(O)=O
InChI标识符
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,27-,28+,29+,30-/m0/s1
键
FMIMFCRXYXVFTA-YUVMXPMLSA-N