Cas no 13485-43-3 (16-Methylpregna-4,16-diene-3,20-dione)
13485-43-3 structure
Product Name:16-Methylpregna-4,16-diene-3,20-dione
CAS No:13485-43-3
MF:C22H30O2
MW:326.472406864166
CID:2657646
PubChem ID:22213225
Update Time:2024-02-29
16-Methylpregna-4,16-diene-3,20-dione Chemical and Physical Properties
Names and Identifiers
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- 16-Methylpregna-4,16-diene-3,20-dione
- AATFZIOHQGNMOO-LJCDUQBNSA-N
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- Inchi： 1S/C22H30O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12,17-19H,5-11H2,1-4H3/t17-,18+,19+,21+,22+/m1/s1
- InChI Key： AATFZIOHQGNMOO-LJCDUQBNSA-N
- SMILES： O=C(C)C1=C(C)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(C=C3CC[C@H]12)=O
Computed Properties
- Exact Mass: 326.224580195g/mol
- Monoisotopic Mass: 326.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 682
- 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
- Topological Polar Surface Area: 34.1
- XLogP3: 3.8
16-Methylpregna-4,16-diene-3,20-dione Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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