Cas no 16732-86-8 (Cholest-4-ene)
Cholest-4-ene structure
Product Name:Cholest-4-ene
CAS No:16732-86-8
MF:C27H46
MW:370.654148578644
CID:142495
PubChem ID:12532769
Update Time:2025-04-19
Cholest-4-ene Chemical and Physical Properties
Names and Identifiers
-
- Cholest-4-ene
- 4-cholestene
- Cholest-4-en
- Cholest-4-ene100μg
- cholest-5-ene
- Coprostene
- (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- NS00052336
- YWHWYTRNKBGSRE-HKQCOZBKSA-N
- 16732-86-8
- (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
-
- Inchi： 1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,19-20,22-25H,6-10,12-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
- InChI Key： YWHWYTRNKBGSRE-HKQCOZBKSA-N
- SMILES： [C@]12(C)CC[C@@H]3[C@@]4(C)CCCC=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C
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: 556
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.942
- Boiling Point: 447.862°C at 760 mmHg
- Flash Point: 220.908°C
- Refractive Index: 1.514
- PSA: 0.00000
- LogP: 8.41790
Cholest-4-ene Related Literature
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1. Hydroxylation of Δ4-steroids by osmium tetraoxide; stereochemistry and substituent effectsJames R. Bull,Jan Floor J. Chem. Soc. Perkin Trans. 1 1977 724
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2. Steroids and walden inversion. Part XXVI. 4β-Methoxycholest-5-ene, 6β-methoxycholest-4-ene, and related compoundsD. N. Jones,J. R. Lewis,C. W. Shoppee,G. H. R. Summers J. Chem. Soc. 1955 2876
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3. Steroidal sulphur compounds. Part IX. 6α- and 6β-Methylsulphinylcholest-4-ene and related compounds; stereochemical aspects of the allyl sulphoxide–sulphenate rearrangementD. Neville Jones,John Blenkinsopp,Anthony C. F. Edmonds,Essam Helmy,Richard J. K. Taylor J. Chem. Soc. Perkin Trans. 1 1973 2602
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4. 344. The reactions of hydrazones and related compounds with strong bases. Part I. A modified Wolff–Kishner procedureM. F. Grundon,H. B. Henbest,M. D. Scott J. Chem. Soc. 1963 1855
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E. N. Wall,J. McKenna J. Chem. Soc. B 1970 318
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