Cas no 3638-82-2 (19-Norpregn-4-ene-3,17-diol,3-propanoate, (3b,17a)- (9CI))
3638-82-2 structure
Product Name:19-Norpregn-4-ene-3,17-diol,3-propanoate, (3b,17a)- (9CI)
CAS No:3638-82-2
MF:C23H36O3
MW:360.53014755249
CID:315348
PubChem ID:20055548
Update Time:2025-04-19
19-Norpregn-4-ene-3,17-diol,3-propanoate, (3b,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [(3S,8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
- 19-Norpregn-4-ene-3,17-diol,3-propanoate, (3b,17a)- (9CI)
- (17beta)-17-ethyl-17-hydroxyestr-4-en-3-yl propanoate
- 17-alpha-ethyloestr-4-ene-3-beta,17-beta-diol 3-propionate
- 19-nor-17-alpha-pregn-4-ene-3-beta,17-beta-diol 3-propionate
- DTXSID40189909
- 19-Nor-17alpha-pregn-4-ene-3beta,17-diol 3-propionate
- PROPETANDROL [INN]
- PROPETANDROL
- UNII-K0H1J6311W
- CHEMBL2105236
- 19-NOR-17.ALPHA.-PREGN-4-ENE-3.BETA.,17-DIOL 3-PROPIONATE
- Propetandrol [INN:DCF]
- 3638-82-2
- K0H1J6311W
- SC-7294
- SCHEMBL2109734
- Q7250251
-
- Inchi： 1S/C23H36O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h14,16-20,25H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23-/m0/s1
- InChI Key： ODOMHABFTBNARE-JSDYAUHVSA-N
- SMILES： O[C@@]1(CC)CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@@H]4[C@H]3CC[C@@]21C)OC(CC)=O
Computed Properties
- Exact Mass: 360.266445
- Monoisotopic Mass: 360.266445
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 596
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5
- XLogP3: 4.6
Experimental Properties
- Density: 1.09
- Boiling Point: 464.2°Cat760mmHg
- Flash Point: 178.6°C
- Refractive Index: 1.541
- PSA: 46.53000
- LogP: 5.02200
19-Norpregn-4-ene-3,17-diol,3-propanoate, (3b,17a)- (9CI) Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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