18046-77-0 ((Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-)

快速询单

结构式：

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-MOL文件

CAS号：

18046-77-0

英文名称：

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-

分子式：

C₁₉H₂₈O₂

分子量：

288.424426078796

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)名称与标识符

名称

英文别名：

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-;Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11β,17β)-;11.BETA.-METHYL NORTESTOSTERONE;11beta-methyl-19-nortestosterone;UNII-7HK4M3941F;(11beta,17beta)-17-Hydroxy-11-methylestr-4-en-3-one;7HK4M3941F;Q27268303;18046-77-0;ESTR-4-EN-3-one, 17beta-hydroxy-11beta-methyl-;11.BETA.MNT;11.BETA.-METHYL-19-NORTESTOSTERONE;ESTR-4-EN-3-ONE, 17.BETA.-HYDROXY-11.BETA.-METHYL-;DTXSID001252268;11beta-Methyl nortestosterone;SCHEMBL3452660;11betaMnt;

标识符

InChIKey：

QCNNHARIRLYUAB-CTPXPINYSA-N

Inchi：

1S/C19H28O2/c1-11-10-19(2)16(7-8-17(19)21)15-5-3-12-9-13(20)4-6-14(12)18(11)15/h9,11,14-18,21H,3-8,10H2,1-2H3/t11-,14-,15-,16-,17-,18+,19-/m0/s1

SMILES：

O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C)=O

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)物化性质

计算特性

精确分子量 : 288.208930132Da
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 288.208930132Da
重原子数量 : 21
复杂度 : 494
同位素原子数量 : 0
确定原子立构中心数量 : 7
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） : 2.9
拓扑分子极性表面积 : 37.3Å²

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)相关文献

1. 249. Steroids. Part CLXXII. Factors controlling the direction of enol acetylation of 3-oxo-steroids
B. Berkoz,E. P. Chavez,Carl Djerassi J. Chem. Soc. 1962 1323
2. Conformational studies. Part 5. Functionalisation of methyl groups in 4,4-dimethyl steroids
John M. Midgley,John E. Parkin,W. Basil Whalley J. Chem. Soc. Perkin Trans. 1 1977 834
3. Conformational studies. Part 9. Some exceptions to the axial halogeno-ketone rule
John S. E. Holker,W. Reginald Jones,Michael G. R. Leeming,Gerald M. Holder,John M. Midgley,John E. Parkin,W. Basil Whalley J. Chem. Soc. Perkin Trans. 1 1978 253
4. 561. Steroids containing ring A aromatic. Part VII. Oxidative cleavage of 1-hydroxy-4-methyl-1,3,5(10)-triene steroids
E. Caspi,P. K. Grover,D. M. Piatak,Y. Shimizu J. Chem. Soc. 1965 3052
5. Total synthesis of 12-methyl-19-nor-steroids
Robert V. Coombs,Robert P. Danna J. Chem. Soc. Perkin Trans. 1 1976 1643
6. Steroids: physical methods
D. N. Kirk Nat. Prod. Rep. 1986 3 505
7. Steroids: reactions and partial syntheses
A. B. Turner Nat. Prod. Rep. 1992 9 37
8. Steroids: reactions and partial syntheses
J. Elks Nat. Prod. Rep. 1985 2 461
9. Cycloaddition route to 14,17-ethano- and 14-alkyl-19-norsteroids
James R. Bull,Russell I. Thomson J. Chem. Soc. Perkin Trans. 1 1990 241
10. 969. Modified steroid hormones. Part XXIX. Some 17α-chloroethynyl-17β-hydroxy-derivatives
C. Burgess,D. Burn,J. W. Ducker,B. Ellis,P. Feather,A. K. Hiscock,A. P. Leftwick,J. S. Mills,V. Petrow J. Chem. Soc. 1962 4995

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18046-77-0 ((Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-)

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)名称与标识符

名称

标识符

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)物化性质

计算特性

Estr-4-en-3-one, 17-hydroxy-11-methyl-, (11b,17b)-(18046-77-0)相关文献

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