7-O-Acetylhorminone
IUPAC 名称
(4aS,9R)-6-hydroxy-1,1,4a-trimethyl-5,8-dioxo-7-(propan-2-yl)-1,2,3,4,4a,5,8,9,10,10a-decahydrophenanthren-9-yl acetate
描述
7-o-acetylhorminone is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 7-o-acetylhorminone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-o-acetylhorminone can be found in common sage, which makes 7-o-acetylhorminone a potential biomarker for the consumption of this food product.
异构
CC(C)C1=C(O)C(=O)C2=C([C@@H](CC3C(C)(C)CCC[C@]23C)OC(C)=O)C1=O
InChI标识符
InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,25H,7-10H2,1-6H3/t13-,14?,22+/m1/s1
键
XDBVTCDGDQLEKG-QWDRYGJXSA-N