Cas no 124729-57-3 (Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)-)
124729-57-3 structure
Product Name:Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)-
CAS No:124729-57-3
MF:C26H44O4
MW:420.625168800354
CID:162141
PubChem ID:130240
Update Time:2025-04-19
Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)- Chemical and Physical Properties
Names and Identifiers
-
- Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)-
- 3,7-dihydroxy-7-ethylcholanoic acid
- (17alpha)-7-ethyl-3,7-dihydroxycholan-24-oic acid
- 7-Etcdc
- 7-Ethyl-chenodeoxycholic acid
- 7-Ethyl-ursodeoxycholic acid
- 7-Etudc
- Cholan-24-oic acid, 7-ethyl-3,7-dihydroxy-, (3alpha,5beta,7alpha)-
- 124729-57-3
- (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-ethyl-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
- DTXSID60924915
- 7-Ethyl-3,7-dihydroxycholan-24-oic acid
-
- Inchi： 1S/C26H44O4/c1-5-26(30)15-17-14-18(27)10-12-24(17,3)21-11-13-25(4)19(7-8-20(25)23(21)26)16(2)6-9-22(28)29/h16-21,23,27,30H,5-15H2,1-4H3,(H,28,29)/t16-,17?,18?,19+,20+,21+,23+,24+,25-,26?/m1/s1
- InChI Key： MQLOTQXSYYOCHY-SGTVOBRCSA-N
- SMILES： OC1(CC)CC2CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21)O
Computed Properties
- Exact Mass: 420.32412
- Monoisotopic Mass: 420.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 663
- 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
- XLogP3: 5.6
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
124729-57-3 (Cholan-24-oic acid,7-ethyl-3,7-dihydroxy-, (3a,5b,7a)-) Related Products
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- 132465-11-3(CDC)
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