1244-58-2
1244-58-2 结构式
基本信息
中文别名
大麻二酸大麻二酚酸
大麻二醇酸
CBDA(大麻二醇酸)
英文别名
cannabidiolic acidCannabidiolic Acid (CRM)
Cannabidiolic acid solution
2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-isopropenyl-2-cyclohexenyl]-6-pentylbenzoic acid
6-amyl-2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]benzoic acid
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-6-pentyl-benzoic acid
2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentylbenzoic acid
Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-
所属类别
天然产物：酚类物理化学性质
熔点45-48 °C
沸点530.8±50.0 °C(Predicted)
密度1.123±0.06 g/cm3(Predicted)
闪点2℃
储存条件−20°C
溶解度Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸度系数(pKa)3.41±0.43(Predicted)
形态neat
InChI1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
InChIKeyWVOLTBSCXRRQFR-DLBZAZTESA-N
SMILESCCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O
LogP7.870 (est)
