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胆固醇乙酸酯 | 604-35-3

胆固醇乙酸酯
Cholesterol 3-Acetate
604-35-3
C29H48O2
428.69022
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:胆固醇乙酸酯结构式
24856228
胆固醇乙酸酯价格
名称和标识符
MDL MFCD00003636
InChIKey XUGISPSHIFXEHZ-VEVYEIKRSA-N
Inchi 1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23?,24?,25-,26?,27?,28+,29-/m1/s1
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
BRN 2064235
别名信息
- 中文别名 -
  • 胆固醇乙酸酯
  • 胆固醇醋酸酯
  • 胆固醇乙酸脂
  • 胆甾醇乙酸脂
  • 醋酸胆固醇酯
  • Cholesterol Acetate 醋酸胆固醇酯
  • 醋酸胆固醇
  • 胆甾-5-烯-3-醇(3beta)乙酸酯
  • 乙酸胆甾醇
  • 胆甾-5-烯-3-醇(3β)乙酸酯
  • 胆甾醇乙酸酯
  • 乙醇胆甾醇脂,胆固醇乙酸脂,胆固醇醋酸酯,胆甾-5-烯-3-醇(3β)乙酸酯
  • 乙酸胆固醇酯
  • 乙酸胆甾醇脂
- 英文别名 -
  • 3b-Acetoxycholest-5-ene
  • cholest-5-en-3-yl acetate
  • Chloesteryl acetate
  • Acetic acid cholesteryl ester
  • Cholesterol Acetate
  • Cholesterol 3-Acetate
  • Cholesteryl acetate
  • CHOLESTERYL ACETATE(RG)
  • ACETYL CHOLESTEROL
  • Chol
  • Cholesterin acetate
  • Acetic Acid Cholesterol Ester
  • (3beta)-Cholest-5-en-3-ol acetate
  • 3beta-Acetoxy-5-cholestene
  • 3beta-Hydroxy-5-cholestene 3-acetate
  • 5-Cholesten-3beta-ol 3-acetate
  • Acetyl Cholesterol
  • Cholesterol acetate
  • AKOS001587850
  • AKOS001587850
  • FT-0623722
  • FT-0623722
  • ACETIC ACID 17-(1,5-DI-ME-HEXYL)-10,13-DI-ME-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
  • ACETIC ACID 17-(1,5-DI-ME-HEXYL)-10,13-DI-ME-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
  • ChemDiv1_018908
  • ChemDiv1_018908
  • cholest-5-en-3-yl acetate (en)
  • cholest-5-en-3-yl acetate (en)
  • Cholest-5-en-3-ol (3.beta.)-, acetate
  • Cholest-5-en-3-ol (3.beta.)-, acetate
  • CHEMBL4746582
  • CHEMBL4746582
  • Cholest-5-en-3-yl acetate
  • Cholest-5-en-3-yl acetate
  • SR-01000390345
  • SR-01000390345
  • Cholest-5-en-3.beta.-ol acetate
  • Cholest-5-en-3.beta.-ol acetate
  • CHOLEST-4-EN-3-BETA-YL ACETATE
  • CHOLEST-4-EN-3-BETA-YL ACETATE
  • NSC-8799
  • NSC-8799
  • NSC8799
  • NSC8799
  • NS00013455
  • NS00013455
  • SR-01000390345-2
  • SR-01000390345-2
  • A-ol 3-acetate
  • A-ol 3-acetate
  • A-Acetoxy-5-cholestene,3
  • A-Acetoxy-5-cholestene,3
  • 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
  • 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
  • (-)Cholesteryl acetate
  • (-)Cholesteryl acetate
  • Cholest-5-en-3-beta-yl acetate
  • Cholest-5-en-3-beta-yl acetate
  • SY059042
  • SY059042
  • HMS640L10
  • HMS640L10
  • 3.beta.-Acetoxycholest-5-ene
  • 3.beta.-Acetoxycholest-5-ene
  • SR-01000390345-1
  • SR-01000390345-1
  • SCHEMBL12888146
  • SCHEMBL12888146
  • DivK1c_003692
  • DivK1c_003692
  • Cholest-5-en-3.beta.-yl acetate
  • Cholest-5-en-3.beta.-yl acetate
  • VS-08785
  • VS-08785
  • DTXSID50862276
  • DTXSID50862276
  • 3
  • 3
  • Cholesterol, acetate
  • Cholesterol, acetate
  • AKOS016037956
  • AKOS016037956
  • A-Hydroxy-5-cholestene 3-acetate,5-Cholesten-3
  • A-Hydroxy-5-cholestene 3-acetate,5-Cholesten-3
  • [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
  • CDS1_002652
  • CDS1_002652
  • ACETIC ACID 17-(1,5-DIMETHYL-HEXYL)-DIMETHYL-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
  • ACETIC ACID 17-(1,5-DIMETHYL-HEXYL)-DIMETHYL-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
物化性质
实验特性
LogP 7.95950
PSA 26.30000
Merck 2201
折射率 1.5045 (estimate)
水溶性 不溶
沸点 493.3°C at 760 mmHg
熔点 111.0 to 116.0 deg-C
闪点 248.8 °C
溶解度 insoluble
颜色与性状 不可用
溶解性 不可用
比旋光度 -44 º (c=2, CHCl3)
光学活性 [α]24/D −44°, c = 2 in chloroform
密度 0.9935 (rough estimate)
计算特性
精确分子量 428.36500
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 7
同位素质量 428.365
重原子数量 31
复杂度 693
同位素原子数量 0
确定原子立构中心数量 8
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 9.1
表面电荷 0
拓扑分子极性表面积 26.3
国际标准相关数据
EINECS 210-066-4
相关文献
专业数据库参考
PubChemId 24856228
参考资料
Reaxys RN 2064235
Beilstein 6(3)2630
化合物详情(旧版)

胆固醇乙酸酯的物理化学性质

性状:白色结晶粉末
密度:0.99 g/cm3
熔点:112-114 °C(lit.)
沸点:493.3ºC at 760 mmHg
闪点:248.8ºC
折射率:1.515
水溶解性:insoluble

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