Cas no 312-90-3 (Pregn-4-ene-3,20-dione,11-hydroxy-)
312-90-3 structure
Product Name:Pregn-4-ene-3,20-dione,11-hydroxy-
Pregn-4-ene-3,20-dione,11-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,11-hydroxy-
- 312-90-3
- SCHEMBL572275
- Pregn-4-ene-3,20-dione, 11-hydroxy-
- DTXSID801036226
- 11-Hydroxyprogesterone
- 11beta-Hydroxy-4-pregnen-3,20-dione
- Pregn-4-ene-11beta-ol-3,20-dione
- NS00115977
-
- 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/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18?,19+,20-,21+/m0/s1
- InChI Key： BFZHCUBIASXHPK-AYHYENMDSA-N
- SMILES： OC1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
Computed Properties
- Exact Mass: 330.21949481g/mol
- 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: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 54.4?2
Pregn-4-ene-3,20-dione,11-hydroxy- Related Literature
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1. Physical adsorption of gases. Part 1.—Xenon and krypton on nickel filmsB. G. Baker,P. G. Fox Trans. Faraday Soc. 1965 61 2001
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2. 18-Substituted steroids. Part 8. An improved synthesis of 11β,18,21-trihydroxypregn-4-ene-3,20-dione (‘18-hydroxycorticosterone’)David N. Kirk,Christopher J. Slade J. Chem. Soc. Perkin Trans. 1 1981 703
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3. Steroids. Part XIII. The conversion of ergosterol into progesteroneFrancis Johnson,G. T. Newbold,F. S. Spring J. Chem. Soc. 1954 1302
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4. 812. Modified steroid hormones. Part VII. The conversion of 3-oxo-Δ4-steroids into their 6-methyl homologuesG. Cooley,B. Ellis,D. N. Kirk,V. Petrow J. Chem. Soc. 1957 4112
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Olof Ramstr?m,Lei Ye,Klaus Mosbach Anal. Commun. 1998 35 9
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