CAS: 1207181-35-8; (2As,4As,10R,10Ar,13Ar)-7,9-Dihydroxy-2,2,4A-Trimethyl-13-Methylene-10-Phenyl-1,2,2A,3,4,4A,10,10A,11,12,13,13A-Dodecahydrocyclobuta[6,7]Cyclonona[1,2-B]Chromene-6,8-Dicarbaldehyde

英文名称(2As,4As,10R,10Ar,13Ar)-7,9-Dihydroxy-2,2,4A-Trimethyl-13-Methylene-10-Phenyl-1,2,2A,3,4,4A,10,10A,11,12,13,13A-Dodecahydrocyclobuta[6,7]Cyclonona[1,2-B]Chromene-6,8-Dicarbaldehyde
中文名称(2AS,4AS,10R,10AR,13AR)-7,9-二羟基-2,2,4A-三甲基-13-亚甲基-10-苯基-1,2,2A,3,4,4A,10,10A,11,12,13,13A-DO十氢环丁...[6,7]环丙基九[1,2-B]H-6,8-二甲醛
IUPAC名称(2aS,4aS,10R,10aR,13aR)-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenyl-1,2,2a,3,4,4a,10,10a,11,12,13,13a-dodecahydrocyclobuta[6,7]cyclonona[1,2-b]chromene-6,8-dicarbaldehyde
其它别名7,9-Dihydroxy-2,2,4A-Trimethyl-13-Methylene-10-Phenyl-1,2,2A,3,4,4A,10,10A,11,12,13,13A-Dodecahydrocyclobuta[6,7]Cyclonona[b]Chromene-6,8-Dicarbaldehyde; Psidial A; Benzo[b]Cyclobuta[5,6]Cyclonona[1,2-E]Pyran-6,8-Dicarboxaldehyde, 1,2,2A,3,4,4A,10,10A,11,12,13,13A-Dodecahydro-7,9-Dihydroxy-2,2,4A-Trimethyl-13-Methylene-10-Phenyl-, (2As,4As,10R,10Ar,13Ar)-
CAS编号1207181-35-8
MFCD编号:MFCD20260718
分子式:C30H34O5分子量:474.6
产品CID: 277268

相似结构搜索
InChIKey: NSFVENNIBGTQJE-QIBYHJKFSA-N
InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数3.0

物理性质

沸点518.7±50.0 °C at 760 mmHg
闪点160.7±23.6 °C
密度1.3±0.1 g/cm3
PSA:83.83
LogP:6.4145
产品应用该化合物用作选择性雌激素受体调节器; PSITIAL A 在抗癌研究中也表现出潜力.

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

合成工艺路线路线简述

4396-13-8 + 87-44-5 + 100-52-7 = 1207181-35-8 + 1219603-97-0 + 959860-49-2
反应条件:1.1 Catalysts: Rel-1-[(2R)-3,4-Dihydro-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-Trimethyltridecyl]... Solvents: Water; 15 H,100 °C
标题:A Short Biomimetic Synthesis Of The Meroterpenoids Guajadial And Psidial A
作者:Lawrence,Andrew L.; Adlington,Robert M.; Baldwin,Jack E.; Lee,Victor; Kershaw,Jessica A.; Et Al
参考文献:Organic Letters 日期:2010 卷标:12(8) 页码:1676-1679