Cas no 2066-10-6 (4-hydroxycholest-4-en-3-one)
4-hydroxycholest-4-en-3-one structure
Product Name:4-hydroxycholest-4-en-3-one
CAS No:2066-10-6
MF:C27H44O2
MW:400.637068748474
CID:1395475
PubChem ID:12472562
Update Time:2025-04-20
4-hydroxycholest-4-en-3-one Chemical and Physical Properties
Names and Identifiers
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- 4-hydroxycholest-4-en-3-one
- -
- 4-Hydroxycholest-4-en-3-one #
- Cholest-4-en-3-one, 4-hydroxy-
- Cholestan-3-one, 4,5-dedihydro-4-hydroxy-
- 2066-10-6
- WCQLDMUOLPPXFV-OLZFZNDLSA-N
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- Inchi： 1S/C27H44O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-22,29H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
- InChI Key： WCQLDMUOLPPXFV-OLZFZNDLSA-N
- SMILES： OC1C(CC[C@@]2(C)C=1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21)=O
Computed Properties
- Exact Mass: 400.33432
- Monoisotopic Mass: 400.334130642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 676
- 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: 8.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
4-hydroxycholest-4-en-3-one Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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