Cas no 96737-55-2 (Pregn-4-ene-3,11,20-trione,17,18,21-trihydroxy- (9CI))
96737-55-2 structure
Product Name:Pregn-4-ene-3,11,20-trione,17,18,21-trihydroxy- (9CI)
CAS No:96737-55-2
MF:C21H28O6
MW:376.443427085876
CID:806310
PubChem ID:126049
Update Time:2025-04-19
Pregn-4-ene-3,11,20-trione,17,18,21-trihydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,11,20-trione,17,18,21-trihydroxy- (9CI)
- 18-hydroxycortisone
- DTXSID60914336
- SCHEMBL144474
- 317DX693HK
- 17,18,21-Trihydroxypregn-4-ene-3,11,20-trione
- Q27256020
- 96737-55-2
- Pregn-4-ene-3,11,20-trione, 17,18,21-trihydroxy-
- 17,18,21-Trihydroxy-4-pregnene-3,11,20-trione
- UNII-317DX693HK
-
- Inchi： 1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-15,18,22-23,27H,2-7,9-11H2,1H3/t14-,15-,18+,19-,20+,21-/m0/s1
- InChI Key： FPYGQPQXGSIDSF-RBWSHPMZSA-N
- SMILES： O[C@]1(C(CO)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3C(C[C@@]21CO)=O)=O
Computed Properties
- Exact Mass: 376.188589
- Monoisotopic Mass: 376.188589
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 741
- 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: 0.2
- Topological Polar Surface Area: 112
Experimental Properties
- Density: 1.35
- Boiling Point: 618°Cat760mmHg
- Flash Point: 341.6°C
- Refractive Index: 1.605
Pregn-4-ene-3,11,20-trione,17,18,21-trihydroxy- (9CI) Related Literature
-
1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
