Cas no 86386-61-0 (Norchenodeoxycholic acid)
Norchenodeoxycholic acid structure
Product Name:Norchenodeoxycholic acid
CAS No:86386-61-0
MF:C23H38O4
MW:378.545427799225
CID:991581
Update Time:2023-08-03
Norchenodeoxycholic acid Chemical and Physical Properties
Names and Identifiers
-
- 24-norchenodeoxycholic acid
- (3R)-3-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
- Norchenodeoxycholic acid
- Nor-cdca
- LMST04060018
- BDBM50375573
-
- Inchi： 1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19-,21+,22+,23-/m1/s1
- InChI Key： QYYDXDSPYPOWRO-AYTZMJRQSA-N
- SMILES： O[C@@H]1C[C@@H]2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CC(=O)O)CC[C@H]3[C@@H]21)O
Computed Properties
- Exact Mass: 378.27701
- Monoisotopic Mass: 378.27701
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 591
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8
Experimental Properties
- Density: 1.142
- Boiling Point: 536.7°C at 760 mmHg
- Flash Point: 292.4°C
- Refractive Index: 1.546
Norchenodeoxycholic acid Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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