- Synthesis of 6α- and 6β-hydroxydeoxycholic acidNiu, Wei; Xiao, Dan; Cheng, Hang; Xu, Liang, Youji Huaxue, 2020, 40(7), 2114-2119
Names and Identifiers
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- Cholan-24-oic acid,3,12-dihydroxy-7-oxo-, (3a,5b,12a)-
- 3,12-Dihydroxy-7-oxocholan-24-oic acid
- 3α,12α-dihydroxy-7-keto-5β-cholan-24-oic acid
- 5B-CHOLANIC ACID-3A,12A-DIOL-7-ONE
- 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL-7-ONE
- 7-KETO-3A,12A-DIHYDROXYCHOLANIC ACID
- 7-Keto-3α,12-α-dihydroxycholanic Acid
- (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid
- (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
- 3alpha,12alpha-dihydr
- 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid
- 3alpha,12alpha-Diol-7-one-5beta-cholanoic acid
- 7-ketodeoxycholate
- 7-Ketodeoxycholic acid
- 7-oxodeoxycholate
- 7-Oxodeoxycholic acid
- (3α,5β,12α)-3,12-Dihydroxy-7-oxocholan-24-oic acid (ACI)
- 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-7-oxo- (8CI)
- 5β-Cholanic acid, 3α,12α-dihydroxy-7-oxo- (7CI)
- 3α,12α-Dihydroxy-7-keto-5β-cholanic acid
- 3α,12α-Dihydroxy-7-ketocholanic acid
- 3α,12α-Dihydroxy-7-oxo-5β-cholan-24-oic acid
- 3α,12α-Dihydroxy-7-oxo-5β-cholanoic acid
- 5β-Cholanic acid-3α,12α-diol-7-one
- 7-keto-3α,12α-Dihydroxy-5β-cholanic acid
- 7-keto-Deoxycholic acid
- 7-Oxo-3α,12α-dihydroxy-5β-cholanoic acid
- 7-Oxo-3α,12α-dihydroxycholan-24-oic acid
- MFCD00271373
- 7-Keto-3
- CHEMBL3392000
- 3alpha, 12alpha-dihydroxy-7-keto-5beta-cholanoic acid
- 3 alpha,12 alpha-diol-7-one-5 beta-cholanoic acid
- Cholan-24-oic acid, 3,12-dihydroxy-7-oxo-, (3.alpha.,5.beta.,12.alpha.)-
- (3a,5b,12a)-3,12-dihydroxy-7-oxo-Cholan-24-oate
- 3alpha,12alpha-Dihydroxy-7-keto-5beta-cholanic Acid
- 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid
- 7-Keto-DCA
- NS00124973
- HY-41324
- RHCPKKNRWFXMAT-RRWYKFPJSA-N
- 3 alpha,7 alpha-dihydroxy-7-keto-5 beta-cholanoic acid
- SCHEMBL1653937
- UNII-14DEP88BGS
- Cholan-24-oic acid, 3,12-dihydroxy-7-oxo-, (3a,5b,12a)-
- (R)-4-((3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- 14DEP88BGS
- 7-Keto-3alpha,12alpha-dihydroxycholanic acid;7-Keto-3a,12-a-dihydroxycholanic Acid;3a,12a-dihydroxy-7-keto-5?-cholan-24-oic acid
- 3a,12a-dihydroxy-7-oxo-5b-cholan-24-oic acid
- CS-0016034
- 3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoic acid
- 5.BETA.-CHOLAN-24-OIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-7-OXO-
- 911-40-0
- (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxo-cholan-24-oic Acid
- 3alpha,7alpha-Dihydroxy-7-keto-5beta-cholanoic acid
- 3 alpha,7 alpha-dihydroxy-7-keto-5 beta-cholanoate
- Q27101883
- PD166097
- 7-Keto-3a,12-a-dihydroxycholanic Acid
- 7-Keto-3alpha,12-alpha-dihydroxycholanic acid
- 7-Keto-3 alpha ,12- alpha -dihydroxycholanic Acid
- V10233
- 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanoic acid
- C04643
- 3 alpha,12 alpha-diol-7-one-5 beta-cholanoate
- AS-54739
- 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanoate
- A,12-
- 7-Keto-3 alpha ,12 alpha -dihydroxy-5 alpha -cholanic Acid
- 7-Ketocholate
- 7-Keto-3?,12-?-dihydroxycholanic Acid
- DA-70356
- 3a,12a-dihydroxy-7-oxo-5b-cholan-24-oate
- (3a,5b,12a)-3,12-dihydroxy-7-oxo-Cholan-24-oic acid
- 5.BETA.-CHOLANIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-7-OXO-
- DTXSID101314217
- LMST04010184
- CHEBI:16390
- A-dihydroxycholanic Acid
- AKOS027381854
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- MDL: MFCD00271373
- Inchi: 1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
- InChI Key: RHCPKKNRWFXMAT-RRWYKFPJSA-N
- SMILES: O=C1C[C@@H]2C[C@@H](CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@H](C)CCC(=O)O)[C@]1([C@H](C2)O)C)O
Computed Properties
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- Exact Mass: 406.27200
- Monoisotopic Mass: 406.271924
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 676
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- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 94.8
- XLogP3: 3.3
Experimental Properties
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- Density: 1.18
- Melting Point: 54-60°C
- Boiling Point: 583°Cat760mmHg
- Flash Point: 320.4°C
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- Refractive Index: 1.55
- PSA: 94.83000
- LogP: 3.65690


