Cas no 1174-92-1 (Cholesteryl methyl ether)
Cholesteryl methyl ether structure
Product Name:Cholesteryl methyl ether
Cholesteryl methyl ether Chemical and Physical Properties
Names and Identifiers
-
- Cholesteryl methyl ether
- 5-Cholesten-3beta-ol methyl ether
- 3-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- (3beta)-3-Methoxycholest-5-ene
- 3BETA-METHOXY-5-CHOLESTENE
- 3beta-Methoxycholest-5-ene
- 3-Methoxycholest-5-ene
- Cholest-5-ene,3beta-methoxy
- Cholest-5-ene,3-Methoxy-,(3b)
- Cholesterin methyl ether
- Cholesterol methyl ether
- DTXSID00880723
- Q63399195
- Cholest-5-ene, 3.beta.-methoxy-
- 1174-92-1
- 3.alpha.-Cholesterol methyl ether
- 3.beta.-Methoxycholest-5-ene
- AKOS015851009
- Cholest-5-ene, 3-methoxy-, (3beta)-
- LMST01010281
- Cholest-5-ene, 3beta-methoxy-
- RCXPTZJNVLDKKV-PXBBAZSNSA-N
- NSC-95435
- Cholesterinmethylether
- 3-Methoxycholest-5-ene #
- NSC95435
- 3-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
- 3-O-Methylcholesterol
- NSC 95435
- SCHEMBL4738490
- NS00096175
- (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
-
- Inchi： 1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
- InChI Key： RCXPTZJNVLDKKV-PXBBAZSNSA-N
- SMILES： O(C)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 400.37100
- Monoisotopic Mass: 400.371
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 9.1
- Topological Polar Surface Area: 9.2A^2
Experimental Properties
- Density: 0.9575 (rough estimate)
- Melting Point: 85.5–86 oC
- Boiling Point: 463.29°C (rough estimate)
- Flash Point: 238.7°C
- Refractive Index: 1.5100 (estimate)
- PSA: 9.23000
- LogP: 8.04280
Cholesteryl methyl ether Related Literature
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1. 86. Studies in the sterol group. Part XXIX. The constitution of the isomeric ethers of cholesterolJ. H. Beynon,I. M. Heilbron,F. S. Spring J. Chem. Soc. 1937 406
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2. 208. Studies in the sterol group. Part XXV. An investigation of some reactions of the isomeric ethers of cholesterolJ. H. Beynon,I. M. Heilbron,F. S. Spring J. Chem. Soc. 1936 907
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3. 302. Studies in the sterol group. Part XXXIII. The constitution of the isomeric ethers of cholesterol (continued from part XXIX)J. H. Beynon,I. M. Heilbron,F. S. Spring J. Chem. Soc. 1937 1459
-
4. 143. Studies in the sterol group. Part XXXVI. The oxidation of i-cholesterol and its derivativesI. M. Heilbron,J. Hodges,F. S. Spring J. Chem. Soc. 1938 759
-
5. Steroids and Walden inversion. Part XVII. The configuration of ψ-cholesterol and the attempted preparation of 4β-methoxy-5 : 7-cyclocholestaneR. J. W. Cremlyn,R. W. Rees,C. W. Shoppee J. Chem. Soc. 1954 3790
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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