Cas no 10322-18-6 (Cholan-24-oic acid,3,7,12-trihydroxy-, (3b,5b,7b,12a)- (9CI))
10322-18-6 structure
Product Name:Cholan-24-oic acid,3,7,12-trihydroxy-, (3b,5b,7b,12a)- (9CI)
CAS No:10322-18-6
MF:C24H40O5
MW:408.57140827179
CID:118532
PubChem ID:5283873
Update Time:2025-04-18
Cholan-24-oic acid,3,7,12-trihydroxy-, (3b,5b,7b,12a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cholan-24-oic acid,3,7,12-trihydroxy-, (3b,5b,7b,12a)- (9CI)
- (3b,5b,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid
- (3beta,5beta,7beta,12alpha)-3,7,12-trihydroxycholan-24-oic acid
- 3b,7b,12a-Trihydroxy-5b-cholanoic acid
- (4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 10322-18-6
- 3b,7b,12a-Trihydroxy-5b-cholanic acid
- CHEBI:175281
- LMST04010090
- 3b,7b,12a-Trihydroxy-5b-cholan-24-oic acid
- DTXSID201229267
- 3b,7b,12a-Trihydroxy-5b-cholan-24-oate
- 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid
- 3beta,7beta,12alpha-Trihydroxy-5beta-cholanoic acid
- Q63392097
- 3b,7b,12a-Trihydroxy-5b-cholanoate
- 3b,7b,12a-Trihydroxy-5b-cholanate
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- Inchi： 1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1
- InChI Key： BHQCQFFYRZLCQQ-NSYKHXCCSA-N
- SMILES： O[C@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C[C@H]3C[C@@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O)O
Computed Properties
- Exact Mass: 408.2877
- Monoisotopic Mass: 408.28757437g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 637
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 97.99
Cholan-24-oic acid,3,7,12-trihydroxy-, (3b,5b,7b,12a)- (9CI) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
Related Categories
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