CAS: 64998-19-2; (3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-Ethyl-6-Methylhept-3-En-2-yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol

英文名称(3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-Ethyl-6-Methylhept-3-En-2-yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
中文名称7α-羟基豆甾醇
IUPAC名称(3S,7S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
其它别名7Alpha-Hydroxystigmasterol; 7α-Hydroxystigmasterol; Stigmasta-5,22-Diene-3,7-Diol, (3β,7α,22E)-
CAS编号64998-19-2
MFCD编号:MFCD20260597
分子式:C29H48O2分子量:428.7
产品CID: 1632784
产品分类天然产物 → 甾体化合物

相似结构搜索
产品信息参考;;
InChIKey: DPNNWDOFSGOYEK-KQASBSEXSA-N
InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数5.0

物理性质

沸点534.5±38.0 °C at 760 mmHg
闪点219.0±21.4 °C
密度1.0±0.1 g/cm3
pKa:14.09±0.70(预测)
PSA:40.46
LogP:8.3
折射率1.541
蒸汽压0.0±3.2 mmHg at 25°C
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末
储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
危险品标志Xi
安全声明H303+H313+H333

上下游产品

stigmasterol 3β-acetoxy-(24S)-stigmasta-5,22E-dien-7-one diethyl ether Stigmasterol

合成工艺路线路线简述

📜豆甾醇在 Sodium Tetrahydroborate,Chromium Trioxide-Pyridine Complex体系中,用 1,4-二氧六环,吡啶,甲醇,氯仿作为反应溶剂,反应 62.0H,获得 (22E,24S)-Stigmasta-5,22-Dien-3β,7α-Diol
参考文献:豆甾醇的 7-氧代-和 7-羟基-衍生物的合成
标题:豆甾醇的 7-氧代-和 7-羟基-衍生物的合成
摘要:植物甾体 3ß-羟基-(24S)-Stigmast-5,22E-Dien-7-One 和 (24S)-Stigmasta-5,22E-Diene-3\,7ß-Diol 已由豆甾醇合成.
Doi:10.1007/Bf01373854