Cas no 514-55-6 (16-Methylepihydrocortisone)
16-Methylepihydrocortisone structure
Product Name:16-Methylepihydrocortisone
CAS No:514-55-6
MF:C22H32O5
MW:376.486487388611
CID:935362
PubChem ID:7061015
Update Time:2025-04-19
16-Methylepihydrocortisone Chemical and Physical Properties
Names and Identifiers
-
- 16-Methylepihydrocortisone
- 16-Methylpregn-4-ene-11,17,21-triol-3,20-dione
- 11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione
- 16-Mhc
- Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-16-methyl-, (11beta,16alpha)-
- 2294-17-9
- DTXSID001182598
- 16-Methylhydrocortisone
- (11I+/-,16I+/-)-11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione
- 514-55-6
-
- Inchi： 1S/C22H32O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h9,12,15-17,19,23,25,27H,4-8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1
- InChI Key： ZCAYUOKEIPMTMF-JPDWDDBRSA-N
- SMILES： O[C@]1(C(CO)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@@H](C[C@@]21C)O)=O
Computed Properties
- Exact Mass: 376.22497412g/mol
- Monoisotopic Mass: 376.22497412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 714
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 94.8?2
16-Methylepihydrocortisone Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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