Cas no 1882-86-6 (Pregna-4,16-diene-3,11,20-trione(6CI,7CI,8CI,9CI))
1882-86-6 structure
Product Name:Pregna-4,16-diene-3,11,20-trione(6CI,7CI,8CI,9CI)
CAS No:1882-86-6
MF:C21H26O3
MW:326.429346561432
CID:231680
PubChem ID:232427
Update Time:2025-04-19
Pregna-4,16-diene-3,11,20-trione(6CI,7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-4,16-diene-3,11,20-trione(6CI,7CI,8CI,9CI)
- (8S,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
- 4,16-Pregnadien-3,11,20-trion
- AC1L5NUZ
- AR-1L1762
- C15146
- CTK0I3403
- NSC29841
- Pregna-4,16-dien-3,11,20-trion
- pregna-4,16-diene-3,11,20-trione
- UNII-382CL6DTZL
- NSC 29841
- NSC-29841
- 1882-86-6
- CHEBI:79664
- DTXSID30172168
- 4,16-pregnadien-3,11,20-trione
- SCHEMBL10728432
- 382CL6DTZL
- 16,17-Didehydro-11-oxoprogesterone
- Q27148787
-
- Inchi： 1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,10,15,17,19H,4-5,7-9,11H2,1-3H3/t15-,17-,19+,20-,21+/m0/s1
- InChI Key： IKTWAVWPFLQACH-RJQCYMMPSA-N
- SMILES： O=C1C[C@]2(C)C(C(C)=O)=CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
Computed Properties
- Exact Mass: 326.18828
- Monoisotopic Mass: 326.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 713
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
- LogP: 3.82260
Pregna-4,16-diene-3,11,20-trione(6CI,7CI,8CI,9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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