(8S,9S,10R,13S,14S,17S)-17-((R)-2-Hydroxy-6-Methylheptan-2-Yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol (8S,9S,10R,13S,14S,17S)-17-((R)-2-羟基-6-甲基庚烷-2-基)-10,13-二甲基-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3-醇
CAS 516-72-3 MFCD00003629
化学结构图
SMILES: CC(C)CCCC(C)(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
化学属性
| Mol. Formula | C27H46O2 |
|---|---|
| Mol. Weight | 403 |
别名和识别编码
| Chemical Name | (8S,9S,10R,13S,14S,17S)-17-((R)-2-Hydroxy-6-Methylheptan-2-Yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol |
|---|---|
| CAS Number | 516-72-3 |
| Synonym | (3?)- |
| MDL Number | MFCD00003629 |
| Chemical Name Translation | (8S,9S,10R,13S,14S,17S)-17-((R)-2-羟基-6-甲基庚烷-2-基)-10,13-二甲基-2,3,4,7,8,9,10,11,12,13,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-3-醇 |
| PubChem Substance ID | 121935 |
| InChI | InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
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分类
- Metabolites & Impurities
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Steroids
产品应用
- A metabolite of Cholesterol (C432501). Cholesterol oxidation product having
相关文献及参考
- [2]. Nedelcu D, et al, Oxysterol binding to the extracellular domain of Smoothened in Hedgehog signaling. Nat Chem Biol. 2013 Sep;9(9):557-64.
- Higley, N., et al.: Food Chem. Toxicol., 22, 983 (1984),
- [1]. Nachtergaele S, et al. Oxysterols are allosteric activators of the oncoprotein Smoothened. Nat Chem Biol. 2012 Jan 8;8(2):211-20.
- [1]. Nachtergaele S, et al. Oxysterols are allosteric activators of the oncoprotein Smoothened. Nat Chem Biol. 2012 Jan 8;8(2):211-20.
- [2]. Nedelcu D, et al, Oxysterol binding to the extracellular domain of Smoothened in Hedgehog signaling. Nat Chem Biol. 2013 Sep;9(9):557-64.
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