Cas no 6868-73-1 (Cholan-24-oic acid,3,6-dioxo-, (5b)-)
6868-73-1 structure
Product Name:Cholan-24-oic acid,3,6-dioxo-, (5b)-
Cholan-24-oic acid,3,6-dioxo-, (5b)- Chemical and Physical Properties
Names and Identifiers
-
- Cholan-24-oic acid,3,6-dioxo-, (5b)-
- 3,6-DIKETOCHOLANIC ACID
- 1,1,2,2-Tetrafluoro-2-(1,2,2-trifluoro-1-(trifluoromethyl)-2-((trifluorovinyl)oxy)ethoxy)ethanesulphonyl fluoride
- 5-trifluoroethoxy-4-trifluoromethyl-3-oxa-1,1,2,2,4,5,5-heptafluorosulfonyl flu
- Ethanesulfonyl fluoride, 2-(1-(difluoro((trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-
- KST-1B9277
- perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride
- Perfluoro-[2-(2-fluorosulfonylethoxy)propyl vinyl ether]
- DTXSID50988364
- (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- CHEBI:166706
- Cholan-24-oic acid, 3,6-dioxo-, (5beta)-
- 3,6-Dioxo-5beta-cholan-24-oic Acid
- Q63391952
- 3,6-Diketo-CA
- 6868-73-1
- 3,6-dioxocholan-24-oic acid
- LMST04010134
- (5beta)-3,6-Dioxocholan-24-oic acid
- 3,6-Dioxo-5b-cholan-24-oic acid
- 5beta-Cholanic acid-3,6-dione
-
- Inchi： 1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,23-,24-/m1/s1
- InChI Key： AWINBLVINXVKTE-FSILYXOFSA-N
- SMILES： O=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]32)[C@@]2(C)CCC(C[C@H]21)=O
Computed Properties
- Exact Mass: 388.26135963g/mol
- Monoisotopic Mass: 388.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 684
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 71.4?2
Cholan-24-oic acid,3,6-dioxo-, (5b)- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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