Cas no 1420-68-4 (Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI))
![Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI) structure](https://ossimg.kuujia.com/scimg/1500/1420-68-4x500.png)
1420-68-4 structure
Product Name:Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI)
CAS No:1420-68-4
MF:C28H42O4
MW:442.630689144135
CID:144623
PubChem ID:102121
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI)
- 21-hydroxypregn-4-ene-3,20-dione 21-heptanoate
- 3,20-dioxopregn-4-en-21-yl heptanoate
- Einecs 215-820-6
- Heptanoic acid 3,20-dioxopregn-4-en-21-yl ester
- DESOXYCORTONE ENANTHATE [WHO-DD]
- CORTIRON-DEPOT
- Pregn-4-ene-3,20-dione, 21-((1-oxoheptyl)oxy)-
- DTXSID10931295
- Desoxycortone enantate
- Q27278802
- UNII-G5T433V1SC
- Desoxycortone enanthate
- [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] heptanoate
- DEOXYCORTICOSTERONE ENANTATE
- G5T433V1SC
- SCHEMBL19028027
- 1420-68-4
- NS00045544
-
- Inchi： 1S/C28H42O4/c1-4-5-6-7-8-26(31)32-18-25(30)24-12-11-22-21-10-9-19-17-20(29)13-15-27(19,2)23(21)14-16-28(22,24)3/h17,21-24H,4-16,18H2,1-3H3/t21-,22-,23-,24+,27-,28-/m0/s1
- InChI Key： UNGDDFDVVHFRQA-FTIQDDARSA-N
- SMILES： O=C(COC(CCCCCC)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 442.30830982g/mol
- Monoisotopic Mass: 442.30830982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 9
- Complexity: 782
- 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
- XLogP3: 5.5
- Topological Polar Surface Area: 60.4?2
Pregn-4-ene-3,20-dione,21-[(1-oxoheptyl)oxy]- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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