Cas no 17132-01-3 (3,5-Cyclocholestane, (3a,5S)- (9CI))
17132-01-3 structure
Product Name:3,5-Cyclocholestane, (3a,5S)- (9CI)
3,5-Cyclocholestane, (3a,5S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclocholestane, (3a,5S)- (9CI)
- 3, 5-CYCLOCHOLESTANE
- 3, 5-Cyclocholestane100μg
- C27H48O3
- Cholestane-3,5,6-triol
- i-chlolestane
- 3,5-CYCLOCHOLESTANE
- NSC-134928
- 2,15-dimethyl-14-(6-methylheptan-2-yl)pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
- 17132-01-3
- DTXSID50937973
- NSC134928
-
- Inchi： 1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3
- InChI Key： MYUSPBGUUVXDMH-UHFFFAOYSA-N
- SMILES： C123CCC4C5CCC(C(C)CCCC(C)C)C5(C)CCC4C1(C)CCC2C3
Computed Properties
- Exact Mass: 370.36000
- Monoisotopic Mass: 370.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 577
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.96
- Boiling Point: 441.2°Cat760mmHg
- Flash Point: 208.6°C
- Refractive Index: 1.522
- PSA: 0.00000
- LogP: 8.10770
3,5-Cyclocholestane, (3a,5S)- (9CI) Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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