Cas no 70608-75-2 (Androsta-1,4-diene-3,17-dione,7,12-dihydroxy-, (7a,12b)-)
70608-75-2 structure
Product Name:Androsta-1,4-diene-3,17-dione,7,12-dihydroxy-, (7a,12b)-
CAS No:70608-75-2
MF:C19H24O4
MW:316.391466140747
CID:570759
PubChem ID:194352
Update Time:2025-04-19
Androsta-1,4-diene-3,17-dione,7,12-dihydroxy-, (7a,12b)- Chemical and Physical Properties
Names and Identifiers
-
- Androsta-1,4-diene-3,17-dione,7,12-dihydroxy-, (7a,12b)-
- 7,12-dihydroxyandrosta-1,4-diene-3,17-dione
- (7alpha,12beta)-7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
- 7alpha,12beta-Dihydroxyandrosta-1,4-diene-3,17-dione
- (7R,8R,9S,10R,12R,13R,14S)-7,12-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
- SCHEMBL10871058
- 70608-75-2
- DTXSID50990821
-
- Inchi： 1S/C19H24O4/c1-18-6-5-11(20)7-10(18)8-14(21)17-12-3-4-15(22)19(12,2)16(23)9-13(17)18/h5-7,12-14,16-17,21,23H,3-4,8-9H2,1-2H3/t12-,13-,14+,16+,17-,18-,19-/m0/s1
- InChI Key： BWQVWSWLOMBYLM-USYVIYLSSA-N
- SMILES： O[C@@H]1C[C@@H]2[C@]3(C=CC(C=C3C[C@H]([C@H]2[C@@H]2CCC([C@]21C)=O)O)=O)C
Computed Properties
- Exact Mass: 316.16752
- Monoisotopic Mass: 316.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 648
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: 0.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Androsta-1,4-diene-3,17-dione,7,12-dihydroxy-, (7a,12b)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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