Cas no 7635-25-8 ((3beta,5alpha)-3,17,21-trihydroxypregnan-20-one)
7635-25-8 structure
Product Name:(3beta,5alpha)-3,17,21-trihydroxypregnan-20-one
CAS No:7635-25-8
MF:C21H34O4
MW:350.492267131805
CID:2016390
PubChem ID:13986157
Update Time:2025-04-21
(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
- DTXSID501264541
- Pregnan-20-one, 3,17,21-trihydroxy-, (3I+/-)-
- 7635-25-8
-
- 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+/m1/s1
- InChI Key： UPTAPIKFKZGAGM-RBYPUMCWSA-N
- SMILES： O[C@]1(C(CO)=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](CC3CC[C@H]12)O
Computed Properties
- Exact Mass: 350.24570956Da
- Monoisotopic Mass: 350.24570956Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 562
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 77.8?2
(3beta,5alpha)-3,17,21-trihydroxypregnan-20-one Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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