Cas no 114611-55-1 (Androsta-4,16-diene-3,6-dione(9CI))
114611-55-1 structure
Product Name:Androsta-4,16-diene-3,6-dione(9CI)
CAS No:114611-55-1
MF:C19H24O2
MW:284.392665863037
CID:203442
PubChem ID:195096
Update Time:2025-04-19
Androsta-4,16-diene-3,6-dione(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androsta-4,16-diene-3,6-dione(9CI)
- Androsta-4,16-diene-3,6-dione
- 10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
- 114611-55-1
- DTXSID10921434
- SCHEMBL5973725
- (8S,9S,10R,13R,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
-
- Inchi： 1S/C19H24O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h3,7,10,13-15H,4-6,8-9,11H2,1-2H3/t13-,14-,15-,18-,19+/m0/s1
- InChI Key： GOJSMZGIOCBZMX-UNTXSKPGSA-N
- SMILES： O=C1C2=CC(CC[C@]2(C)[C@H]2CC[C@]3(C)C=CC[C@H]3[C@@H]2C1)=O
Computed Properties
- Exact Mass: 284.17772
- Monoisotopic Mass: 284.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.14
- Boiling Point: 417.8°Cat760mmHg
- Flash Point: 156.3°C
- Refractive Index: 1.568
- PSA: 34.14
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