CAS: 128-27-8; (10S)-3T-Hydroxy-10R.13T-Dimethyl-17T-((1R:4R)-1.4.5-Trimethyl-Hexen-(2T)-yl)-(9Ch.14Ch)-δ5.7-Dodecahydro-1H-Cyclopenta[a]Phenanthren

英文名称(10S)-3T-Hydroxy-10R.13T-Dimethyl-17T-((1R:4R)-1.4.5-Trimethyl-Hexen-(2T)-yl)-(9Ch.14Ch)-δ5.7-Dodecahydro-1H-Cyclopenta[a]Phenanthren
中文名称(3β,10α,22E)-麦角甾-5,7,22-三烯-3-醇
其它别名10a-Ergosta-5,7,22-trien-3b-ol (7CI,8CI); Pyr°Calciferol(6CI); 10a-Ergosterol; 9a-Lumisterol; Pyroerg°Calciferol; Pyrovitamin D2
CAS编号128-27-8
FDA UNII编号:4QE155MND5
分子式:C28H44O分子量:396.65
产品CID: 442834
产品分类有机原料 → 脂质和类脂质分子 → 类固醇和类固醇衍生物

相似结构搜索
InChIKey: DNVPQKQSNYMLRS-OJBTWCRJSA-N
1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数4.0

物理性质

熔点93-95°
沸点460.3°C (粗估)
密度0.9784 (粗估)
PH:D20 +512°; 20546 +624° (c = 0.15 in alcohol)
PSA:20.23
LogP:7.4
折射率1.5100 (估算)

MSDS等安全信息

上下游产品

(3Beta,9Beta,22E)-麦角甾-5,7,22-三烯-3-醇 (10R)-3C-Hydroxy-10R.13C-Dimethyl-17C-((1R:4R)-1.4.5-Trimethyl-Hexen-(2T)-yl)-(9Ch.14Th)-δ5.7-Dodecahydro-1H-Cyclopenta[a]Phenanthren 474-70-4
维生素d2 Calciferol 50-14-6

合成工艺路线路线简述

📜(3Beta,9Beta,22E)-麦角甾-5,7,22-三烯-3-醇反应生成(3Beta,10Alpha,22E)-麦角甾-5,7,22-三烯-3-醇
参考文献:Reichenbacher,Manfred;Gliesing,Sabine;Hopf,Gert
标题:Reichenbacher,Manfred;Gliesing,Sabine;Hopf,Gert