Cas no 24320-06-7 (19-Norpregn-4-ene-3,20-dione,16-ethyl-21-hydroxy-, (16a)-)
24320-06-7 structure
Product Name:19-Norpregn-4-ene-3,20-dione,16-ethyl-21-hydroxy-, (16a)-
CAS No:24320-06-7
MF:C22H32O3
MW:344.487687110901
CID:256743
PubChem ID:119086
Update Time:2025-04-19
19-Norpregn-4-ene-3,20-dione,16-ethyl-21-hydroxy-, (16a)- Chemical and Physical Properties
Names and Identifiers
-
- 19-Norpregn-4-ene-3,20-dione,16-ethyl-21-hydroxy-, (16a)-
- [3H]-Org 2058
- (16alpha)-16-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione
- 19-Norpregn-4-ene-3,20-dione, 16-Ethyl-21-hydroxy-, (16alpha)-
- [3H]ORG2058
- GTPL3454
- O-2058
- Q27088212
- (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- (8R, 9S, 10R, 13S, 14S, 16R, 17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2, 6, 7, 8, 9, 10, 11, 12, 14, 15, 16, 17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- SCHEMBL3273165
- AKOS040753387
- (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one-tritiated
- GTPL3453
- 24320-06-7
- ORG2058
- BDBM50422735
- [3H]-ORG2058
- Org-2058
- CHEMBL2311103
- Org 2058
- 16alpha-Ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
- 16 alpha-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
-
- Inchi： 1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
- InChI Key： IJLXLZGJDSJGIQ-BILPMHSYSA-N
- SMILES： O=C(CO)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 344.23526
- Monoisotopic Mass: 344.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 606
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.13
- Boiling Point: 505.3°C at 760 mmHg
- Flash Point: 273.5°C
- Refractive Index: 1.553
- PSA: 54.37
19-Norpregn-4-ene-3,20-dione,16-ethyl-21-hydroxy-, (16a)- Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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