Cas no 28558-00-1 (Androst-4-en-3-one, 11b,17b-dihydroxy-6a-methyl- (6CI,8CI))
28558-00-1 structure
Product Name:Androst-4-en-3-one, 11b,17b-dihydroxy-6a-methyl- (6CI,8CI)
CAS No:28558-00-1
MF:C20H30O3
MW:318.450406551361
CID:261100
PubChem ID:253110
Update Time:2025-04-19
Androst-4-en-3-one, 11b,17b-dihydroxy-6a-methyl- (6CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-en-3-one, 11b,17b-dihydroxy-6a-methyl- (6CI,8CI)
- A,11
- A,17
- AC1L5NFX
- AR-1A7032
- CTK1A3069
- KST-1A3481
- NSC75558
- SureCN6018282
- DTXSID50291441
- SCHEMBL6018282
- MLS002693943
- 28558-00-1
- (6
- NSC-75558
- A)-11,17-dihydroxy-6-methylandrost-4-en-3-one
-
- Inchi： 1S/C20H30O3/c1-11-8-13-14-4-5-17(23)20(14,3)10-16(22)18(13)19(2)7-6-12(21)9-15(11)19/h9,11,13-14,16-18,22-23H,4-8,10H2,1-3H3/t11-,13-,14-,16-,17-,18+,19-,20-/m0/s1
- InChI Key： QUXYZFGFQTUFKB-YAYVIYLRSA-N
- SMILES： O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@@H]2C[C@H](C)C3=CC(CC[C@]3(C)[C@H]21)=O)O
Computed Properties
- Exact Mass: 318.2196
- Monoisotopic Mass: 318.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 567
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.17
- Boiling Point: 480.2°Cat760mmHg
- Flash Point: 258.3°C
- Refractive Index: 1.57
- PSA: 57.53
- LogP: 3.09600
Androst-4-en-3-one, 11b,17b-dihydroxy-6a-methyl- (6CI,8CI) Related Literature
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1. 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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