Cas no 21650-83-9 (Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-)
21650-83-9 structure
Product Name:Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-
CAS No:21650-83-9
MF:C23H32O3
MW:356.498387336731
CID:283023
PubChem ID:89527
Update Time:2025-04-19
Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)- Chemical and Physical Properties
Names and Identifiers
-
- Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-
- 20-oxopregna-9(11),16-dien-3-yl acetate
- 3beta-Hydroxy-5alpha-pregna-9(11),16-dien-20-one 3-acetate
- MLS002694789
- CHEMBL1906258
- DTXSID30944246
- 21650-83-9
- SMR001560708
- HMS3085A08
- NSC-87945
- NSC87945
-
- Inchi： 1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,10,16-18,20H,5-6,8-9,11-13H2,1-4H3
- InChI Key： GBSGMSKNTLPLQF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C3=CCC4(C)C(C(C)=O)=CCC4C3CCC2C1
Computed Properties
- Exact Mass: 356.23526
- Monoisotopic Mass: 356.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 702
- 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: 43.4A^2
- XLogP3: 4.4
Experimental Properties
- Density: 1.11
- Boiling Point: 468.4°Cat760mmHg
- Flash Point: 202°C
- Refractive Index: 1.546
- PSA: 43.37
- LogP: 5.00620
Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
21650-83-9 (Pregna-9(11),16-dien-20-one,3-(acetyloxy)-, (3b,5a)-) Related Products
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