25-羟基胆甾醇 | 2140-46-7

中文名称:25-羟基胆甾醇
英文名称:25-Hydroxy Cholesterol
CAS No.:2140-46-7
分子式:C27H46O2 分子量:402.6529
湖北达豪化工有限公司
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名称和标识符
  • MDL:MFCD00057815
  • InChIKey:INBGSXNNRGWLJU-ZHHJOTBYSA-N
  • Inchi:1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
  • SMILES:O([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(C1([H])[H])=C([H])C([H])([H])[C@]1([H])[C@]2([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])C([H])([H])C([H])([H])[C@]21[H]
中文别名
  • 25-羟基胆甾醇
  • 5-胆甾烯-3Β,25-二醇
  • 1-乙酰基-三-苄氧基-罗伯糖
  • 25-羟基胆固醇
  • 5-胆甾烯-3β,25-二醇
英文别名
  • Bicyclo[4.1.0]heptane-3,4-diol,3,7,7-trimethyl-, (1S,3S,4S,6R)-
  • 25-Hydroxy Cholesterol
  • cholest-5-ene-3,25-diol
  • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • 110816
  • 25-Hydroxycholesterol
  • 25-OHC
  • 25-hydroxy-cholesterol
  • INBGSXNNRGWLJU-ZHHJOTBYSA-N
  • 767JTD2N31
  • Cholest-5-ene-3beta,25-diol
  • LMST01010018
  • Cholest-5-ene-3,25-diol, (3b)-
  • PD005887
  • CHEMBL169046
  • 25-Hydroxycholesterol, >=98%
  • DTXSID5044023
  • (1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0
  • {2,7}.0
  • {11,15}]heptadec-7-en-5-ol
  • cholest-5-en-3beta,25-diol
  • W-201876
  • 25-HYDROXYCHOLESTEROL [MI]
  • CS-0061533
  • DB04705
  • CHOLEST-5-ENE-3.BETA.,25-DIOL
  • UNII-767JTD2N31
  • (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • Cholest-5-ene-3?,25-diol
  • 25-Hydroxycholest-5-en-3-ol
  • MFCD00057815
  • GTPL2885
  • BDBM20182
  • (3beta,14beta,17alpha)-cholest-5-ene-3,25-diol
  • (3S,8S,9S,10R,13R,14S,17R)-17-((R)-6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  • SCHEMBL177267
  • 25-hydroxy cholesterol
  • Q27071875
  • CHEBI:42977
  • Tox21_112790
  • DTXCID3024023
  • Cholest-5-en-3b,25-diol
  • CAS-2140-46-7
  • NCGC00181327-02
  • AS-57475
  • 5-CHOLESTENE-3.BETA.,25-DIOL
  • F20674
  • 2140-46-7
  • NS00069994
  • (3BETA)-CHOLEST-5-ENE-3,25-DIOL
  • HY-113134
  • (3?)-Cholest-5-ene-3,25-diol
  • NCGC00181327-01
  • 5-Cholestene-3beta,25-diol
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:636
  • 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):6.8
  • 互变异构体数量:
  • 表面电荷:0
  • 拓扑分子极性表面积:40.5
实验特性
  • LogP:6.50360
  • PSA:40.46000
  • Merck:13,4846
  • 折射率:1.538
  • 沸点:513.1°Cat760mmHg
  • 闪点:14 °C
  • 溶解度:chloroform: 50 mg/mL, clear, colorless to slightly yellow
  • 颜色与性状:未确定
  • 溶解性:未确定
  • 密度:1.03
专业数据库参考
参考资料
  • Beilstein:3161259
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