Cas no 2226-65-5 (Androst-5-en-7-one,3,17-dihydroxy-, (3b,17b)-)
2226-65-5 structure
Product Name:Androst-5-en-7-one,3,17-dihydroxy-, (3b,17b)-
CAS No:2226-65-5
MF:C19H28O3
MW:304.423826217651
CID:250138
PubChem ID:9857645
Update Time:2025-04-19
Androst-5-en-7-one,3,17-dihydroxy-, (3b,17b)- Chemical and Physical Properties
Names and Identifiers
-
- Androst-5-en-7-one,3,17-dihydroxy-, (3b,17b)-
- (3S,10R,13S,17S)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
- 3beta,17beta-Dihydroxyandrost-5-en-7-one
- AND076
- DTXSID80431914
- 4-Methyl-3-(trifluoromethyl)phenylaceticacid
- 2226-65-5
-
- Inchi： 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,16-17,20,22H,3-9H2,1-2H3/t12-,13?,14?,16-,17?,18-,19-/m0/s1
- InChI Key： DFFWENNZWHOWSC-HOABCERXSA-N
- SMILES： O[C@H]1CCC2C3C(C=C4C[C@H](CC[C@]4(C)C3CC[C@@]21C)O)=O
Computed Properties
- Exact Mass: 304.20400
- Monoisotopic Mass: 304.20384475g/mol
- 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: 4
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 2.85000
Androst-5-en-7-one,3,17-dihydroxy-, (3b,17b)- Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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