Cas no 14485-67-7 (4-Androsten-3beta,17beta-diol-11-one)
14485-67-7 structure
Product Name:4-Androsten-3beta,17beta-diol-11-one
CAS No:14485-67-7
MF:C19H28O3
MW:304.43g/mol
CID:120448
Update Time:2023-11-19
4-Androsten-3beta,17beta-diol-11-one Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-en-11-one,3,17-dihydroxy-, (3b,17b)- (9CI)
- 4-Androsten-3beta,17beta-diol-11-one
- CID 134688619
- Androst-4-en-11-one, 3,17-dihydroxy-, (3β,17β)-
- 4-ANDROSTEN-3β, 17β-DIOL-11-ONE
-
- Inchi： 1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,12-14,16-17,20,22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17+,18-,19+/m0/s1
- InChI Key： SSQBIAASJLLCNA-PIDULCJJSA-N
- SMILES： O[C@H]1CC[C@@H]2[C@@]1(C)CC([C@@H]1[C@@]3(C)CC[C@@H](C=C3CC[C@@H]21)O)=O
Computed Properties
- Exact Mass: 304.204
- Monoisotopic Mass: 304.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 539
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 472.9±45.0 °C(Predicted)
- pka: 14.27±0.70(Predicted)
4-Androsten-3beta,17beta-diol-11-one Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jason Wan Lab Chip, 2020,20, 4528-4538
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