Cas no 3702-37-2 (4-bromocholest-4-en-3-one)
4-bromocholest-4-en-3-one structure
Product Name:4-bromocholest-4-en-3-one
CAS No:3702-37-2
MF:C27H43BrO
MW:463.533727884293
CID:1480774
PubChem ID:6451587
Update Time:2025-04-21
4-bromocholest-4-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- 4-bromocholest-4-en-3-one
- 4-Bromo-4-cholesten-3-one
- cholest-4-en-3-one, 4-bromo-
- (8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- CHEMBL70087
- 3702-37-2
- DTXSID80190519
- DMRIADVFXVXWLL-OLZFZNDLSA-N
- 4-Bromocholest-4-en-3-one #
-
- Inchi： 1S/C27H43BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-22H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
- InChI Key： DMRIADVFXVXWLL-OLZFZNDLSA-N
- SMILES： BrC1C(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: 462.24973g/mol
- Monoisotopic Mass: 462.24973g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 678
- 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: 9.4
- Topological Polar Surface Area: 17.1?2
4-bromocholest-4-en-3-one Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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