CAS: 4728-30-7; (2S,4Ar,4Bs,7R,10Ar)-1,1,4A,7-Tetramethyl-7-Vinyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-Dodecahydrophenanthren-2-Ol

该化合物是一种属于等opimarane 类的二乙醇,以其独特的结构框架和潜在的生物活动为显著特征. 它独特的异丙胺基质,在C-3位置上有一个氢氧基组,因此对有机合成,天然产品化学和药理学研究具有价值. 化合物显示出稳定性和中度反应性,有利于进一步的衍生.

英文名称(2S,4Ar,4Bs,7R,10Ar)-1,1,4A,7-Tetramethyl-7-Vinyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-Dodecahydrophenanthren-2-Ol
中文名称8(14),15-异海松二烯-3-醇
IUPAC名称(2S,4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-ol
其它别名(2S)-7α-Ethenyl-1,2,3,4,4A,4Bα,5,6,7,9,10,10Aα-Dodecahydro-1,1,4Aβ,7-Tetramethyl-2β-Phenanthrenol; Ent-Isopimara-8(14),15-Diene-3β-Ol; Sandaracopimaradien-3β-Ol; [13R,(-)]-Pimara-8(14),15-Diene-3-Ol; 8(14),15-Isopimaradien-3-Ol; Sandaracopimaradien-3Beta-Ol; Labda-8(14),15(16)-Dien-3β-Ol; 2-Phenanthrenol, 7-Ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-Dodecahydro-1,1,4A,7-Tetramethyl-, (2S,4Ar,4Bs,7R,10Ar)-
CAS编号4728-30-7
MFCD编号:MFCD16876193
分子式:C20H32O分子量:288.48
产品CID: 1466210
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;
InChIKey: ATQOOBSXQVRQPY-VDWQKOAOSA-N
InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m0/s1
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

沸点373.7±42.0 °C at 760 mmHg
闪点160.8±20.1 °C
密度1.0±0.1 g/cm3
pKa:15.16±0.70(预测)
PSA:20.23
LogP:6.59
折射率1.529
蒸汽压0.0±1.9 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H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation 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

sandaracopimaradien-3β-olacetate (1R,4R,5S)-6,6-Dimethyl-4-((2S,4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yloxy)-3-oxa-bicyclo[3.1.0]hexan-2-one (1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid (2S,4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester isopimara-8(14),15-diene-3β,18-diol(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (2S,4aR,4bS,7R,10aR)-1,1,4a,7-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-phenanthren-2-yl ester (+/-)-3β,7α-dihydroxyisopimara-8(14),15-diene oryzalexin C oryzalexin B

合成工艺路线路线简述

📜Formic Acid (4Ar,4Bs,8Ar,10Ar)-7-[1-Butylsulfanyl-Meth-(Z)-Ylidene]-1,1,4A-Trimethyl-8-Oxo-Tetradecahydro-Phenanthren-2-Yl Ester置于咪唑,盐酸,氢氧化钾,Sodium Tetrahydroborate,正丁基锂,无水碳酸镉,氢氟酸,Potassium Tert-Butylate,对甲苯磺酸,Mercury Dichloride体系中,用甲醇,水,N,N-二甲基甲酰胺,乙腈,叔丁醇,苯作为反应溶剂,化学反应 26.0H,反应生成 8(14),15-异海松二烯-3-醇
参考文献:Synthesis Of Oryzalexins A,B And C,The Diterpenoidal Phytoalexins Isolated From Rice Blast Leaves Infected With Pyricularia Oryzae
标题:Synthesis Of Oryzalexins A,B And C,The Diterpenoidal Phytoalexins Isolated From Rice Blast Leaves Infected With Pyricularia Oryzae
摘要:
DOI:10.1016/s0040-4020(01)91369-9