514-62-5
中文名称
铁锈醇
英文名称
3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
CAS
514-62-5
分子式
C20H30O
分子量
286.45
MOL 文件
514-62-5.mol
更新日期
2024/11/26 13:35:23
514-62-5 结构式
基本信息
中文别名
铁锈醇弥罗松酚
铁锈罗汉柏醇
英文别名
8,11,13-Abietatriene-12-olabieta-8,11,13-triene-12-ol
(+)-8,11,13-Abietatrien-12-ol
(4bS)-4b,5,6,7,8,8aβ,9,10-Octahydro-4b,8,8-trimethyl-2-isopropylphenanthren-3-ol
(4aS)-1,1,4aβ-Trimethyl-7-isopropyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-6-ol
3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
所属类别
天然产物：萜类物理化学性质
熔点56-57℃
沸点388.1±31.0 °C(Predicted)
密度0.988±0.06 g/cm3 (20 ºC 760 Torr)
溶解度Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸度系数(pKa)10.89±0.60(Predicted)
形态粉末
颜色White to off-white
旋光度 (Optical Rotation)+40.616 (c4, ethanol)
InChIInChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKeyQXNWVJOHUAQHLM-AZUAARDMSA-N
SMILESC1=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC(O)=C1C(C)C