6α-HydroxyCortisol | 2242-98-0
6α-HydroxyCortisol
6α-Hydroxy Cortisol
2242-98-0
C21H30O6
378.4593
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 |