Cas no 97170-01-9 ((3beta,5alpha)-3,17,21-trihydroxypregnan-20-one)
97170-01-9 structure
Product Name:(3beta,5alpha)-3,17,21-trihydroxypregnan-20-one
CAS No:97170-01-9
MF:C21H34O4
MW:350.492267131805
CID:2016392
Update Time:2025-03-10
(3beta,5alpha)-3,17,21-trihydroxypregnan-20-one Chemical and Physical Properties
Names and Identifiers
-
- (3beta,5alpha)-3,17,21-trihydroxypregnan-20-one
- (3beta,5alpha,17alphaOH)-3,17,21-Trihydroxypregnan-20-one
- 3beta,17,21-Trihydroxy-5alpha-pregnan-20-on
- 3beta,17,21-trihydroxy-5alpha-pregnan-20-one
- 3beta,5alpha-Tetrahydro Reichstein's Substance S
- 3beta.17.21-Trihydroxy-5alpha-pregnanon-(20)
- 5alpha-pregnan-3beta,17alpha,21-triol-20-one
- Pregnan-20-one, 3,17,21-trihydroxy-, (3β)-
-
- Inchi： 1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13?,14-,15+,16-,17-,19-,20-,21-/m0/s1
- InChI Key： UPTAPIKFKZGAGM-CVSXEEBHSA-N
- SMILES： [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](O)(C(=O)CO)CC3)CC2
Experimental Properties
- Density: 1.186±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Melting Point: 215-225 °C
- Boiling Point: 505.1±30.0 °C(Predicted)
- pka: 12.65±0.70(Predicted)
(3beta,5alpha)-3,17,21-trihydroxypregnan-20-one Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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