378-36-9 (3-keto delta 4 derivative,Pregn-4-ene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6a,11b)-)

快速询单

结构式：

3-keto delta 4 derivativeMOL文件

CAS号：

378-36-9

中文名称：

3-keto delta 4 derivative

英文名称：

Pregn-4-ene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6a,11b)-

分子式：

C₂₂H₃₁FO₄

分子量：

378.47755074501

API：

Fluorometholone

3-keto delta 4 derivative(378-36-9)名称与标识符

名称

中文别名：

6Α-METHYL-9Α-FLUORO-11Β,17Α-DIHYDROXYPROGESTERONE;氟米龙杂质5;

英文别名：

Pregn-4-ene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6a,11b)-;3-keto delta 4 derivative;6α-Methyl-9α-fluoro-11β,17α-dihydroxyprogesterone;Fluorometholone Impurity 7;(6S,9R,10S,11S,13S,17R)-17-Acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one;DTXSID70543378;6a-Methyl-9a-fluoro-21-desoxyhydrocortisone; U 8390;63020-58-6;SCHEMBL12473666;378-36-9;2-METHOXYCHRYSENE;6alpha-Methyl-9alpha-fluoro-11beta,17alpha-dihydroxyprogesterone;

标识符

InChIKey：

UUJDDXLZSNSSOD-KNAQIMQKSA-N

Inchi：

1S/C22H31FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h10,12,15,17-18,26-27H,5-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1

SMILES：

F[C@]12[C@H](C[C@@]3([C@@](O)(C(=O)C)CC[C@@]3([H])[C@]1([H])C[C@H](C)C1=CC(=O)CC[C@]21C)C)O

3-keto delta 4 derivative(378-36-9)物化性质

计算特性

精确分子量 : 258.104465066Da
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 258.104465066Da
重原子数量 : 20
复杂度 : 339
同位素原子数量 : 0
确定原子立构中心数量 : 0
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
拓扑分子极性表面积 : 9.2Å²

3-keto delta 4 derivative(378-36-9)相关文献

1. A new efficient route to the phenolic derivatives of chrysene and 5-methylchrysene, precursors to dihydrodiol and diol epoxide metabolites of chrysene and 5-methylchrysene, through Suzuki cross-coupling reaction
Subodh Kumar J. Chem. Soc. Perkin Trans. 1 1998 3157
2. 149. Hydroaromatic steroid hormones. Part VIII. The preparation of 1,2,3,4,5,6,11,12-octahydro-8-methoxy-1-oxochrysene
A. J. Birch,M. Kocor,D. C. C. Smith J. Chem. Soc. 1962 782
3. 76. Polycyclic aromatic hydrocarbons. Part XXX. Synthesis of chrysenols
J. W. Cook,R. Schoental J. Chem. Soc. 1945 288
4. 220. Fluorescence spectrography as an aid in the identification of compounds
I. Berenblum,R. Schoental J. Chem. Soc. 1946 1017
5. 42. Oxidation of carcinogenic hydrocarbons by osmium tetroxide
J. W. Cook,R. Schoental J. Chem. Soc. 1948 170