Cas no 75220-37-0 (Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI))
75220-37-0 structure
Product Name:Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI)
CAS No:75220-37-0
MF:C21H28O4
MW:344.444626808167
CID:565749
PubChem ID:173380
Update Time:2025-04-19
Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI)
- 19-oxo-deoxycorticosterone
- 21-Hydroxy-4-pregnen-3,19,20-trione
- Pregn-4-en-19-al, 21-hydroxy-3,20-dioxo-
- DTXSID50996681
- (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-2-carbaldehyde
- 21-hydroxy-3,20-dioxopregn-4-en-19-al
- CHEBI:174650
- 19-Oxodeoxycorticosterone
- UDQ5NZQ2S8
- (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
- 75220-37-0
- SCHEMBL11102334
-
- Inchi： 1S/C21H28O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,12,15-18,22H,2-9,11H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
- InChI Key： PDNIPWXQYQYCSU-ZOCXKQACSA-N
- SMILES： O=C(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C=O)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 344.19884
- Monoisotopic Mass: 344.198759
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 650
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.4
- XLogP3: 2
Experimental Properties
- Density: 1.21
- Boiling Point: 525.5°C at 760 mmHg
- Flash Point: 285.7°C
- Refractive Index: 1.569
- PSA: 71.44
Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
75220-37-0 (Pregn-4-en-19-al,21-hydroxy-3,20-dioxo- (9CI)) Related Products
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