Cas no 640-73-3 (Pregn-5-ene-11,20-dione,3-hydroxy-, (3b)-)
640-73-3 structure
Product Name:Pregn-5-ene-11,20-dione,3-hydroxy-, (3b)-
Pregn-5-ene-11,20-dione,3-hydroxy-, (3b)- Chemical and Physical Properties
Names and Identifiers
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- Pregn-5-ene-11,20-dione,3-hydroxy-, (3b)-
- 11-Oxo-10,11,13,14-tetrahydro-12-azaprostaglandin-A(1)-methylester
- 2-Pyrrolidineheptanoic acid, 1-(3-hydroxyoctyl)-3,5-dioxo-, methyl ester
- CTK2B3226
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- Inchi： 1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h4,14-17,19,23H,5-11H2,1-3H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
- InChI Key： UIGQYEDQWMJFEZ-ZVIOFETBSA-N
- SMILES： O=C1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC=C3C[C@H](CC[C@]3(C)[C@H]21)O
Computed Properties
- Exact Mass: 330.2196
- Monoisotopic Mass: 330.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 621
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 3.69430
Pregn-5-ene-11,20-dione,3-hydroxy-, (3b)- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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