Cas no 27953-65-7 (Pregn-4-ene-3,20-dione,21-[(1-oxo-2-propenyl)oxy]- (9CI))
27953-65-7 structure
Product Name:Pregn-4-ene-3,20-dione,21-[(1-oxo-2-propenyl)oxy]- (9CI)
CAS No:27953-65-7
MF:C24H32O4
MW:384.508487701416
CID:282496
PubChem ID:152940
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,21-[(1-oxo-2-propenyl)oxy]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregn-4-ene-3,20-dione,21-[(1-oxo-2-propenyl)oxy]- (9CI)
- Pregn-4-ene-3,20-dione, 21-((1-oxo-2-propenyl)oxy)-
- [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] prop-2-enoate
- 21-Acryloxyprogesterone
- 3,20-Dioxopregn-4-en-21-yl prop-2-enoate
- DTXSID30950640
- 27953-65-7
-
- Inchi: 1S/C24H32O4/c1-4-22(27)28-14-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,2)19(17)10-12-24(18,20)3/h4,13,17-20H,1,5-12,14H2,2-3H3/t17-,18-,19-,20+,23-,24-/m0/s1
- InChI Key: BIFACLOIZIKJPO-ZEQQQVMLSA-N
- SMILES: O=C(COC(C=C)=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: 384.23016
- Monoisotopic Mass: 384.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 750
- 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: 3.7
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Pregn-4-ene-3,20-dione,21-[(1-oxo-2-propenyl)oxy]- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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