CAS: 116499-73-1; (2R,4Ar,4Bs,8R,8Ar)-2-Isopropyl-4B,8-Dimethyl-3,4,4B,5,6,7,8,8A,9,10-Decahydro-2H-2,4A-Epidioxyphenanthrene-8-Carboxylic Acid

英文名称(2R,4Ar,4Bs,8R,8Ar)-2-Isopropyl-4B,8-Dimethyl-3,4,4B,5,6,7,8,8A,9,10-Decahydro-2H-2,4A-Epidioxyphenanthrene-8-Carboxylic Acid
中文名称9α,13α-表二氧基松香-8(14)-烯-18-酸
IUPAC名称(2R,4aR,4bS,8R,8aR)-2-isopropyl-4b,8-dimethyl-3,4,4b,5,6,7,8,8a,9,10-decahydro-2H-2,4a-epidioxyphenanthrene-8-carboxylic acid
其它别名9α,13α-Epidioxyabiet-8(14)-En-18-Oic Acid; 9Alpha,13Alpha-Epidioxyabiet-8(14)-En-18-Oic Acid; 9α,13α-Epidioxyabiet-8(14)-En-18; 3H-3,10B-Ethanonaphtho[1,2-C]-1,2-Dioxin-7-Carboxylic Acid, 5,6,6A,7,8,9,10,10A-Octahydro-7,10A-Dimethyl-3-(1-Methylethyl)-, (3R,6Ar,7R,10As,10Br)-; 9α,13α-Epidioxyabiet-8(14)-En-18-Oicacid
CAS编号116499-73-1
MFCD编号:MFCD23103694
分子式:C20H30O4分子量:334.46
产品CID: 210562
产品分类天然产物 → 萜类

相似结构搜索
InChIKey: OOHFJWCHEFCJDC-AXDKOMKPSA-N
InChI=1S/C20H30O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,21,22)/t15-,17+,18-,19-,20+/m0/s1
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

物理性质

沸点437.9±45.0 °C at 760 mmHg
闪点148.3±22.2 °C
密度1.2±0.1 g/cm3
pKa:4.68±0.60(预测)
PSA:55.76
LogP:4.85
折射率1.554
蒸汽压0.0±2.3 mmHg at 25°C
溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外观形态粉末
储存条件室温

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

palustric acid ethanol

合成工艺路线路线简述

📜在 Sodium Chlorite,Sodium Dihydrogenphosphate,2-甲基-2-丁烯体系中,用水,叔丁醇用作溶剂,化学反应 4.0H,反应生成9Alpha,13Alpha-表二氧基松香-8(14)-烯-18-酸
参考文献:Abietane Diterpenes From The Cones Of
标题:Abietane Diterpenes From The Cones Of
摘要:Five Abietanes,Three Of Them Isolated As The Corresponding Acetate Derivatives,I.E.,9Alpha,13Alpha-Epidioxiabiet-8(14)-En-18-Ol,7Alpha,18-Diacetoxy,9Beta,13Beta-Epidioxiabiet-8(14)-Ene,7Alpha,18-Diacetoxyabiet-8(14)-En-13Beta-Ol,7Alpha,18-Diacetoxy-13Beta-Methoxyabiet-8(14)-Ene,And 13Beta-Hydroxyabiet-8(14)-En-7-One,Were Isolated From The Neutral Part Of The Hexane Extract Of The Cones Of Cedrus Atlantica Collected In Middle Atlas,Morocco. The Structures Of These Compounds Were Established By Spectroscopic Techniques,Including 2D NMR Spectra,And In The Case Of 1,By Chemical Correlation. The Cytotoxicity Of These Abietane Diterpenoids Was Tested Against Five Cell Lines. (C) 2004 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Phytochem.2004.10.017