CAS: 10267-31-9; (1R,2R,4As,8As)-1-((E)-5-Hydroxy-3-Methylpent-3-En-1-yl)-2,5,5,8A-Tetramethyldecahydronaphthalen-2-Ol

该化合物是一种二苯基化合物,其特点是实验室骨骼,其特点是8和15号阵地的氢氧基质,以及13号阵地的双联体.这一结构在有机合成和制药研究中具有独特的反应性和潜在应用.该化合物的立体化学和功能组使其成为生产生物活性衍生物,包括抗炎和抗微生物剂的宝贵中间体.其定义明确的分子框架还有利于天然产品化学和树脂生物合成的研究.在受控制的条件下,高纯度和稳定性确保了研究和工业应用的可靠性能.

英文名称(1R,2R,4As,8As)-1-((E)-5-Hydroxy-3-Methylpent-3-En-1-yl)-2,5,5,8A-Tetramethyldecahydronaphthalen-2-Ol
中文名称赖百当-13-烯-8,15-二醇
IUPAC名称(1R,2R,4aS,8aS)-1-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
其它别名Labd-13(E)-Ene-8α,15-Diol; 13E-Labdene-8α,15-Diol; Copal-8α,15-Diol; [1R-[1A(E),2ß,4Aß,8Aa]]-Decahydro-1-(5-Hydroxy-3-Methyl-3-Pentenyl)-2,5,5,8A-Tetramethyl-2-Naphthalenol; (1R,2R,4As,8As)-Decahydro-1-[(3E)-5-Hydroxy-3-Methyl-3-Pentenyl]-2,5,5,8A-Tet
CAS编号10267-31-9
MFCD编号:MFCD20274995
分子式:C20H36O2分子量:308.51
产品CID: 59058
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;;
InChIKey: LEOHDQKUMQKLMP-NUKBDRAPSA-N
InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数4.0

物理性质

沸点408.5±18.0 °C(预测)
闪点174.9±15.8 °C
密度0.959±0.06 g/cm3(预测)
pKa:14.45±0.10(预测)
PSA:40.46
LogP:4.6988
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末

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
安全声明H303+H313+H333

上下游产品

methyl 8α-hydroxylabd-13E-ene-15-oate isosclareyl diacetate E-8α-hydroxylabd-13-ene-15-al sclareolsclareol oxide 8-hydroxy-15,16-dinor-labdan-13-one (1R,2R,4aS,8aS)-1-(2-(benzyloxy)ethyl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol (4aS,5S,8aS)-5-(2-Benzyloxy-ethyl)-1,1,4a-trimethyl-6-methylene-decahydro-naphthalene