螺甾烷-3-酮(5b,25R)-(9CI) | 512-07-2
中文名称:
螺甾烷-3-酮(5b,25R)-(9CI)
英文名称:
Spirostan-3-one, (5b,25R)- (9CI)
CAS No.:
512-07-2
分子式:
C2 7 H4 2 O3
分子量:
414.62058
名称和标识符
InChIKey
CIBAPVLFORANSS-OBOJVYGLSA-N
Inchi
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(=O)C6)C)C)C)OC1
别名信息
- 英文别名 -
Spirostan-3-one, (5b,25R)- (9CI)
Spirostan-3-one, (5beta,25R)-
sarsasapogenone
Sarsasapogenone
Sarsasapogenone
Sarsasapogenone
Sarsasapogenone
Sarsasapogenone
Sarsasapogenone
Sarsasapogenone
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
512-07-2
512-07-2
512-07-2
512-07-2
512-07-2
512-07-2
512-07-2
CHEBI:172656
CHEBI:172656
CHEBI:172656
CHEBI:172656
CHEBI:172656
CHEBI:172656
CHEBI:172656
DTXSID401318294
DTXSID401318294
DTXSID401318294
DTXSID401318294
DTXSID401318294
DTXSID401318294
Smilagenone
Smilagenone
Smilagenone
Smilagenone
Smilagenone
Smilagenone
DTXSID401318294
CIBAPVLFORANSS-OBOJVYGLSA-N
CIBAPVLFORANSS-OBOJVYGLSA-N
CIBAPVLFORANSS-OBOJVYGLSA-N
CIBAPVLFORANSS-OBOJVYGLSA-N
CIBAPVLFORANSS-OBOJVYGLSA-N
CIBAPVLFORANSS-OBOJVYGLSA-N
Smilagenone
CIBAPVLFORANSS-OBOJVYGLSA-N
物化性质
实验特性
PSA
35.53
折射率
1.546
沸点
514.8°Cat760mmHg
闪点
257.5°C
密度
1.11
计算特性
精确分子量
414.31356
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
0
同位素质量
414.313
重原子数量
30
复杂度
734
同位素原子数量
0
确定原子立构中心数量
11
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)
6.1
拓扑分子极性表面积
35.5Ų
相关文献
1.
Studies on biochemical transformation of plant steroids. Part IV. Biosynthesis of 3α-hydroxylated steroidal sapogenins. Part I
Ken'ichi Takeda,H. Minato,A. Shimaoka,T. Nagasaki J. Chem. Soc. Perkin Trans. 1 1972 957
2.
3,5,7-Trimethoxyphenanthrene-1,4-dione: a new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties
Goutam Brahmachari,Saktipada Das,Maya Biswas (Sinha),Abhishek Kumar,Ambrish Kumar Srivastava,Neeraj Misra RSC Adv. 2016 6 7317
3.
Liquid-phase separation of structurally similar steroids using phenyl stationary phases
Mark Powell,Michael B. D'Arcy Anal. Methods 2013 5 5014
4.
Notes
David P. Evans,Reginald Williams,S. M. Partridge,George A. R. Kon,Henry R. Soper,Aubrey M. Woolman J. Chem. Soc. 1939 1199
5.
230. Studies in the synthesis of cortisone. Part XIX. Paper chromatography of some steroidal 11 : 12-diols and -ketols
S. G. Brooks,J. S. Hunt,A. G. Long,B. Mooney J. Chem. Soc. 1957 1175
6.
Index of subjects, 1939
J. Chem. Soc. 1939 1975
7.
Index of subjects, 1936
J. Chem. Soc. 1936 1875
8.
Formula index
J. Chem. Soc. 1936 1899
9.
Proceedings of the Chemical Society
J. Chem. Soc. 1939 A001
10.
Index of authors, 1939
J. Chem. Soc. 1939 1963
螺甾烷-3-酮(5b,25R)-(9CI)推荐生产厂家