Cas no 2545-32-6 (Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI))
2545-32-6 structure
Product Name:Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI)
CAS No:2545-32-6
MF:C21H30O4
MW:354.49294424057
CID:254202
Update Time:2024-01-26
Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI)
- CORTICOSTERONE, [1,2-3H]
- CORTICOSTERONE-[1,2-3H(N)]
-
- Inchi： 1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1/i7T2,8T2
- InChI Key： OMFXVFTZEKFJBZ-UIBGFQOESA-N
- SMILES： [C@]12(C)C([3H])([3H])C(C(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](C(=O)CO)[C@@]3(C)C[C@H](O)[C@]21[H])([3H])[3H]
Computed Properties
- Exact Mass: 350.231
- Monoisotopic Mass: 350.231
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 638
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 74.6A^2
Experimental Properties
- PSA: 74.60000
- LogP: 2.66670
Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI) Security Information
- Hazardous Material transportation number：UN 2910 7
- Hazard Category Code： 11-36/37/38
- Safety Instruction： 16-26-36
-
Hazardous Material Identification：
- Storage Condition：?20°C
- Risk Phrases：R11
Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI) Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
2545-32-6 (Pregn-4-ene-3,20-dione-1,2-t2,11,21-dihydroxy-, (11b)- (9CI)) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
煙臺(tái)朗裕新材料科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
