CAS: 77658-39-0; (4R,4As,6Ar,9R,11Ar,11Br)-11A-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid

英文名称(4R,4As,6Ar,9R,11Ar,11Br)-11A-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylic Acid
中文名称等效-9-羟基-15-氧代-16-贝壳杉烯-19-酸
IUPAC名称(4R,4aS,6aR,9R,11aR,11bR)-11a-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
其它别名15-Oxo-9-Hydroxykaur-16-En-18-Oic Acid; Pterokaurene L1; Ent-9-Hydroxy-15-Oxo-16-Kauren-19-Oic Acid; Ent-9-Hydroxy-15-Oxokaur-16-En-19-Oic Acid; Kaur-16-En-18-Oic Acid, 9-Hydroxy-15-Oxo-, (4α)-; (5β,8α,9β,10α,13α)-9-Hydroxy-15-Oxokaur-16-En-18-Oicaci
CAS编号77658-39-0
MFCD编号:MFCD20260846
分子式:C20H28O4分子量:332.44
产品CID: 1771060
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;;
InChIKey: AURKCYFYZBQUIZ-LJIVFDACSA-N
InChI=1S/C20H28O4/c1-12-13-5-10-20(24)18(3)8-4-7-17(2,16(22)23)14(18)6-9-19(20,11-13)15(12)21/h13-14,24H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,17-,18-,19+,20-/m1/s1
计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数1.0

物理性质

沸点509.9±50.0 °C at 760 mmHg
闪点276.3±26.6 °C
密度1.2±0.1 g/cm3
pKa:4.56±0.60(预测)
PSA:74.6
LogP:2.46
折射率1.578
蒸汽压0.0±3.0 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

CAS号81263-96-9 等效-9-羟基-15-氧代-1... | CAS号77533-70-1 (4R,15R)-9,15-D... | CAS号77658-45-8 等效-9-羟基-15-氧代-1...

合成工艺路线路线简述

📜等效-9-羟基-15-氧代-16-贝壳杉烯-19-酸beta-D-吡喃葡萄糖酯置于hesperidinase体系中,化学反应 3.0H,以4 Mg的收率获得产物等效-9-羟基-15-氧代-16-贝壳杉烯-19-酸
参考文献:Chemical And Chemotaxonomical Studies Of Ferns. Xxxvii. Chemical Studies On The Constituents Of Costa Rican Ferns.
标题:Chemical And Chemotaxonomical Studies Of Ferns. Xxxvii. Chemical Studies On The Constituents Of Costa Rican Ferns.
摘要:研究了五种哥斯达黎加紫萁科蕨类植物的成分.这些蕨类植物及其分离出的化合物如下: 1. Acrostichum Aureum:栎皮酮3-O-β-D-葡糖苷(i),坡那甾酮a(iii). 2. Neurocallis Praestantissima:2-脱氧-D-葡萄糖(iv),3,6-脱水-2-脱氧-D-葡萄糖(v). 3. Pteris Podophylla:6-(2-氯乙基)-2(S)-羟甲基-5,7-二甲基茚满-1-酮(x),翅孢菌素g(xi),山柰酚3,7-二-O-α-L-鼠李糖苷(II),芹菜苷配基7-O-β-D-葡糖苷(vi),芹黄素7-O-β-D-葡糖苷(vii). 4. Pteris Livida:翅孢菌素c(viii),翅孢菌素s(ix),9-羟基-15-氧代-Ent-贝壳杉-16-烯-19-酰基-β-D-葡糖苷(xii),6β,11β-二羟基-15-氧代-Ent-贝壳杉-16-烯-19-酰基-β-D-葡糖苷(xiii),6β,9-二羟基-15-氧代-Ent-贝壳杉-16-烯-19-酰基-β-D-葡糖苷(xiv),风轮菜苷iii(xv),翅孢贝壳杉烯l1(xvi),11β-羟基-15-氧代-Ent-贝壳杉-16-烯-19-酸(xix). 5. Pteris Altissima:Vii,Xi,Xii,Xiii,Xv. 其中,X,Xii,Xiii和xiv为新化合物,它们的结构通过化学和物理化学方法得以阐明.
DOI:10.1248/cpb.29.3455