1244-58-2
中文名称
大麻二醇酸
英文名称
cannabidiolic acid
CAS
1244-58-2
分子式
C22H30O4
分子量
358.47
MOL 文件
1244-58-2.mol
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)
大麻二酚酸
大麻二醇酸
CBDA(大麻二醇酸)
英文别名
cannabidiolic acid
Cannabidiolic 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-
Cannabidiolic 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 |
| InChI | 1S/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 |
| InChIKey | WVOLTBSCXRRQFR-DLBZAZTESA-N |
| SMILES | CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O |
| LogP | 7.870 (est) |
安全数据
| 危险性符号(GHS) |   GHS02,GHS07 |
| 警示词 | 危险 |
| 危险性描述 | H225-H302+H312+H332-H319 |
| 防范说明 | P210-P261-P280-P305+P351+P338-P370+P378-P403+P235 |
| 危险品运输编号 | UN 1648 3 / PGII |
| WGK Germany | 3 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Acute Tox. 4 Oral Repr. 2 |