Cas no 2542-26-9 (Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI))
2542-26-9 structure
Product Name:Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI)
CAS No:2542-26-9
MF:C23H30O3
MW:354.482507228851
CID:282440
PubChem ID:276598
Update Time:2025-04-19
Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI)
- [(8R,9S,10R,13S,14S,17S)-17-ethynyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- 10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinoline-2,8-dione
- 17a-aza-17a-homoandrost-4-en-3,17-dione
- 17a-aza-D-homo-4-androstene-3,17-dione
- 17a-Aza-D-homo-androst-4-en-3,17-dion
- 17a-aza-D-homoandrost-4-ene-3,17-dione
- 17a-aza-D-homo-androst-4-ene-3,17-dione
- AC1L5XGA
- AC1Q6OEH
- AG-K-05497
- AR-1C0101
- CTK4D0319
- NSC136994
- 2542-26-9
- AKOS025247967
- NSC-124739
- DTXSID80948279
- (17-ethynyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
- 3-oxopregn-4-en-20-yn-17-yl acetate
- 1-ethynyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
- NSC124739
- VS-12233
-
- Inchi： 1S/C23H30O3/c1-5-23(26-15(2)24)13-10-20-18-7-6-16-14-17(25)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,14,18-20H,6-13H2,2-4H3
- InChI Key： AIBWHDYZKNWYQQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1(C#C)CCC2C3CCC4=CC(CCC4(C)C3CCC21C)=O
Computed Properties
- Exact Mass: 354.2196
- Monoisotopic Mass: 354.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 740
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.13
- Boiling Point: 455.9°Cat760mmHg
- Flash Point: 196.4°C
- Refractive Index: 1.552
- PSA: 43.37
- LogP: 4.45340
Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
2542-26-9 (Pregn-4-en-20-yn-3-one,17-(acetyloxy)-, (17a)- (9CI)) Related Products
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