52025-76-0
52025-76-0 结构式
基本信息
英文别名
cannabielsoinCannabielsoin I
Cannabielsoin A
(5aS,6S,9R)-5aβ,6,7,8,9,9aβ-Hexahydro-6α-methyl-9β-(1-methylethenyl)-3-pentyl-1,6-dibenzofurandiol
1,6-Dibenzofurandiol, 5a,6,7,8,9,9a-hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-, (5aS,6S,9R,9aR)-
物理化学性质
沸点426.5±45.0 °C(Predicted)
密度1.089±0.06 g/cm3(Predicted)
储存条件-10 to -25°C
溶解度DMF: 50 mg/ml; DMSO: 60 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg; Ethanol: 35 mg/ml
酸度系数(pKa)9.78±0.60(Predicted)
InChI1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1
InChIKeyRBEAVAMWZAJWOI-MTOHEIAKSA-N
SMILESO1[C@H]2[C@H]([C@@H](CC[C@@]2(O)C)C(=C)C)c3c1cc(cc3O)CCCCC