17320-10-4 (cholest-5-ene-3,4-diol,4b-Hydroxy Cholesterol)

CAS号:
17320-10-4
中文名称:
cholest-5-ene-3,4-diol
英文名称:
4b-Hydroxy Cholesterol
分子式:
C27H46O2
分子量:
402.652948856354

cholest-5-ene-3,4-diol(17320-10-4)名称与标识符

名称

中文别名:
4-β-羟基胆固醇;4-beta-羟基胆固醇;4b--羟基胆固醇-[2,2,3,4,5-D4];4b--羟基胆固醇-[D5];4β羟基胆固醇;4β-羟基胆固醇;4β-羟基胆固醇-[D4]氘代同位素内标;4β羟基胆固醇-D4;4-溴甲基肉桂酸乙酯;3beta,4beta-二羟基胆甾-5-烯;
英文别名:
4β-Hydroxy Cholesterol;cholest-5-ene-3,4-diol;4Β-HYDROXY CHOLESTEROL,WHITE SOLID;4-β-HYDROXYCHOLESTEROL;5-CHOLESTEN-3B,4B-DIOL;Cholest-5-ene-3,4-diol,(3b,4b)-;4beta-hydroxycholesterol;4-Hydroxy Cholesterol;Cholest-5-ene-3beta,4beta-diol;cis-3,4-Dihydroxy-delta5-cholestene;cis-delta5-Cholestene-3,4-diol;4--Hydroxy Cholestrol;4-BETA-HYDROXYCHOLESTEROL;5-CHOLESTEN-3-BETA, 4-BETA-DIOL;3beta,4beta-Dihydroxycholest-5-ene;110803;cholest-5-ene-3b,4b-diol;cholest-5-en-3beta,4beta-diol;CIS-3,4-DIHYDROXY-.DELTA.5-CHOLESTENE;LMST01010014;Cholest-5-en-3b,4b-diol;4beta-Hydroxy Cholesterol;CHEBI:85778;4b-Hydroxycholesterol;(4b)-4-Hydroxycholesterol;(4b)-cholest-5-ene-3b,4-diol;4.beta.-Hydroxycholesterol;Q27158713;4b-Cholest-5-ene-3b,4-diol;4beta-hydroxy-cholesterol;4-Hydroxycholesterol;UNII-3T705H20G7;Cholest-5-ene-3,4-diol, (3beta,4beta)-;4-HYDROXYCHOLESTEROL, (4BETA)-;4;3.BETA.,4.BETA.-DIHYDROXYCHOLEST-5-ENE;(4b)-cholest-5-ene-3beta,4-diol;17320-10-4;PD044707;(3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol;(3beta,4beta)-Cholest-5-ene-3,4-diol;SCHEMBL288702;4?-Hydroxy Cholesterol;Cholest-5-ene-3,4-diol, (3.beta.,4.beta.)-;CIS-.DELTA.5-CHOLESTENE-3,4-DIOL;CHEMBL497411;A-Hydroxycholesterol;Cholest-5-en-3beta,4b-diol;3T705H20G7;CS-0086062;HY-124265;cholest-5-ene-3b,4b-diol; 110803;Cholest-5-ene-3,4-diol, (3b,4b)-;4I(2)-hydroxycholesterol;DTXSID40938338;4?-hydroxycholesterol;

标识符

MDL:
MFCD00201408
InChIKey:
CZDKQKOAHAICSF-JSAMMMMSSA-N
Inchi:
1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1
SMILES:
O[C@H]1[C@H](CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21)O

cholest-5-ene-3,4-diol(17320-10-4)物化性质

实验特性

  • LogP : 6.35950
  • PSA : 40.46000
  • 折射率 : 1.536
  • 沸点 : 500.2±30.0 °C at 760 mmHg
  • 熔点 : 176-177 ºC
  • 蒸气压 : 0.0±2.9 mmHg at 25°C
  • 闪点 : 206.7±19.2 °C
  • 溶解度 : Insuluble (2.8E-5 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 敏感性 : 对湿度敏感
  • 密度 : 1.03±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 402.35000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 5
  • 同位素质量 : 402.35
  • 重原子数量 : 29
  • 复杂度 : 624
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : 7.4
  • 拓扑分子极性表面积 : 40.5A^2

cholest-5-ene-3,4-diol(17320-10-4)相关文献

cholest-5-ene-3,4-diol(17320-10-4)参考资料

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