Cas no 7522-54-5 (androst-5-en-17-one, 3,7-dihydroxy-, (3beta)-)
7522-54-5 structure
Product Name:androst-5-en-17-one, 3,7-dihydroxy-, (3beta)-
CAS No:7522-54-5
MF:C19H28O3
MW:304.423826217651
CID:981624
PubChem ID:11472223
Update Time:2025-04-19
androst-5-en-17-one, 3,7-dihydroxy-, (3beta)- Chemical and Physical Properties
Names and Identifiers
-
- androst-5-en-17-one, 3,7-dihydroxy-, (3beta)-
- 7alpha-Hydroxydehydroepiandrosterone
- AG-G-99775
- Androst-5-en-17-one, 3,7-dihydroxy-, (3beta)- (9CI)
- CTK2H5503
- SureCN301939
- DTXSID00467033
- SCHEMBL301939
- 7522-54-5
- ANDROST-5-EN-17-ONE,3,7-DIHYDROXY-,(3BETA)-
-
- 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/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15?,17-,18-,19-/m0/s1
- InChI Key： OLPSAOWBSPXZEA-NIFJOCIDSA-N
- SMILES： OC1C=C2C[C@H](CC[C@]2(C)[C@H]2CC[C@]3(C)C(CC[C@H]3[C@@H]21)=O)O
Computed Properties
- Exact Mass: 304.20394
- 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: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
- LogP: 2.85000
androst-5-en-17-one, 3,7-dihydroxy-, (3beta)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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3. 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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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