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6α-HydroxyCortisol | 2242-98-0

6α-HydroxyCortisol结构式图片|2242-98-0结构式图片
6α-HydroxyCortisol
6α-Hydroxy Cortisol
2242-98-0
C21H30O6
378.4593
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:6α-HydroxyCortisol结构式
254633
6α-HydroxyCortisol价格
名称和标识符
MDL MFCD00273304
InChIKey GNFTWPCIRXSCQF-HVIRSNARSA-N
Inchi InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES C[C@@]12CCC(=O)C=C2[C@H](C[C@H]3[C@@H]4CC[C@](C(=O)CO)([C@@]4(C)C[C@@H]([C@@H]31)O)O)O
别名信息
- 中文别名 -
  • 6a-羟基氢化可的松 标准品
  • 双去甲氧基姜黄素
  • á-羟基氢化可的松
- 英文别名 -
  • Pregn-4-ene-3,20-dione,6,11,17,21-tetrahydroxy-, (6a,11b)- (9CI)
  • 6α-Hydroxy Cortisol
  • 6A-HYDROXY CORTISOL
  • 6ALPHA-HYDROXYCORTISOL
  • 4-PREGNEN-6ALPHA,11BETA,17ALPHA,21-TETROL-3,20-DIONE
  • 6alpha,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione
  • 6ALPHA,11BETA,17,21-TETROL-4-PREGNENE-3,20-DIONE
  • UNII-V55JM5DKO0
  • 6alpha-Hydroxycortisol, >=98%
  • Pregn-4-ene-3,20-dione,6,11,17,21-tetrahydroxy-,(6a,11b)-(9ci)
  • NSC79099
  • J-014706
  • V55JM5DKO0
  • 6?-Hydroxy Cortisol
  • 6alpha-Hydroxyhydrocortisone
  • 6.ALPHA.-HYDROXYCORTISOL
  • 4-Pregnen-6alpha,11beta,17,21-tetrol-3,20-dione
  • CHEBI:79793
  • (6S, 8S, 9S, 10R, 11S, 13S, 14S, 17R)-6, 11, 17-trihydroxy-17-(2-hydroxyacetyl)-10, 13-dimethyl-2, 6, 7, 8, 9, 11, 12, 14, 15, 16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • 6.ALPHA.,11.BETA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE
  • NSC-*****
  • SCHEMBL142384
  • 6-hydroxycortisol
  • NCGC00485140-01
  • DTXSID501316184
  • (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • Q27148928
  • 6 alpha -Hydroxy Cortisol
  • 6alpha-Hydroxycortisol
  • 2242-98-0
  • CHEMBL2074723
  • NSC *****
  • PREGN-4-ENE-3,20-DIONE, 6,11,17,21-TETRAHYDROXY-, (6.ALPHA.,11.BETA.)-
  • 6
  • CORTICOSTERONE, 6.ALPHA.,17-DIHYDROXY-
  • (6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • 6alpha-Hydroxy Cortisol
  • PREGN-4-ENE-3,20-DIONE, 6.ALPHA.,11.BETA.,17,21-TETRAHYDROXY-
  • A-Hydroxy Cortisol
物化性质
实验特性
LogP 0.75240
PSA 115.06000
熔点 192-194°C
计算特性
精确分子量 378.20400
氢键供体数量 4
氢键受体数量 6
可旋转化学键数量 2
同位素质量 378.20423867g/mol
重原子数量 27
复杂度 716
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) 0.3
拓扑分子极性表面积 115Ų
安全信息
专业数据库参考
PubChemId 254633
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