Cas no 595-19-7 (Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI))
595-19-7 structure
Product Name:Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI)
Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI)
- 14,17,21-trihydroxypregna-1,4-diene-3,20-dione
- 595-19-7
- DTXSID30974902
- NSC16013
- NSC-16013
-
- Inchi： 1S/C21H28O5/c1-18-7-5-14(23)11-13(18)3-4-16-15(18)6-8-19(2)20(16,25)9-10-21(19,26)17(24)12-22/h5,7,11,15-16,22,25-26H,3-4,6,8-10,12H2,1-2H3/t15-,16+,18-,19-,20+,21-/m0/s1
- InChI Key： FLRMVTVWFWWFTQ-FHBGEGHHSA-N
- SMILES： O[C@@]12CC[C@](C(CO)=O)([C@@]1(C)CC[C@@H]1[C@]3(C=CC(C=C3CC[C@@H]21)=O)C)O
Computed Properties
- Exact Mass: 360.19374
- Monoisotopic Mass: 360.193674
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 739
- 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
- Topological Polar Surface Area: 94.8
- XLogP3: 1.7
Experimental Properties
- Density: 1.31
- Boiling Point: 563.8°Cat760mmHg
- Flash Point: 308.8°C
- Refractive Index: 1.614
- PSA: 94.83
- LogP: 1.70170
Pregna-1,4-diene-3,20-dione,14,17,21-trihydroxy- (9CI) Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent