Cas no 58105-34-3 (Androsta-1,4-dien-3-one,14,17-dihydroxy-, (17b)-)
58105-34-3 structure
Product Name:Androsta-1,4-dien-3-one,14,17-dihydroxy-, (17b)-
CAS No:58105-34-3
MF:C19H26O3
MW:302.407946109772
CID:372672
PubChem ID:15250847
Update Time:2025-04-19
Androsta-1,4-dien-3-one,14,17-dihydroxy-, (17b)- Chemical and Physical Properties
Names and Identifiers
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- Androsta-1,4-dien-3-one,14,17-dihydroxy-, (17b)-
- 14,17-dihydroxyandrosta-1,4-dien-3-one
- Androsta-1,4-dien-3-one, 14,17-dihydroxy-, (17beta)-
- 58105-34-3
- 14alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one
- Dado monohydrate
- (8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
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- Inchi: 1S/C19H26O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-16,21-22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1
- InChI Key: AMMCJHLYDWYYKQ-XNIJUTNWSA-N
- SMILES: O[C@@]12CC[C@@H]([C@@]1(C)CC[C@@H]1[C@]3(C=CC(C=C3CC[C@@H]21)=O)C)O
Computed Properties
- Exact Mass: 302.18828
- Monoisotopic Mass: 302.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 592
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Androsta-1,4-dien-3-one,14,17-dihydroxy-, (17b)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. 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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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