Cas no 179382-80-0 (Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-dihydroxy-, (11b)- (9CI))
179382-80-0 structure
Product Name:Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-dihydroxy-, (11b)- (9CI)
CAS No:179382-80-0
MF:C21H30O4
MW:362.525381565094
CID:138465
PubChem ID:102601733
Update Time:2025-04-19
Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-dihydroxy-, (11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-dihydroxy-, (11b)- (9CI)
- [1,2,6,7-3H]CORTICOSTERONE
- CORTICOSTERONE, [1,2,6,7-3H]
- CORTICOSTERONE-[1,2,6,7-3H(N)]
- Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-dihydroxy-,(11b)-(9ci)
- 179382-80-0
-
- 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/i3T2,4T2,7T2,8T2
- InChI Key： OMFXVFTZEKFJBZ-QAUHWCMVSA-N
- SMILES： O[C@H]1C[C@]2(C)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2C([3H])([3H])C([3H])([3H])C3=CC(C([3H])([3H])C([3H])([3H])[C@]3(C)[C@H]21)=O
Computed Properties
- Exact Mass: 354.247
- Monoisotopic Mass: 354.247
- Isotope Atom Count: 4
- 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 : 4
- 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-1,2,6,7-t4,11,21-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-1,2,6,7-t4,11,21-dihydroxy-, (11b)- (9CI) Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
179382-80-0 (Pregn-4-ene-3,20-dione-1,2,6,7-t4,11,21-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
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
