Cas no 63324-19-6 ((3a,5a,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid)
63324-19-6 structure
Product Name:(3a,5a,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid
CAS No:63324-19-6
MF:C24H40O5
MW:408.57140827179
CID:959743
PubChem ID:5283877
Update Time:2025-04-19
(3a,5a,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid Chemical and Physical Properties
Names and Identifiers
-
- (3a,5a,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid
- 63324-19-6
- 3a,7b,12a-Trihydroxy-5a-Cholanoic acid
- Q63392102
- DTXSID901229032
- 3a,7b,12a-Trihydroxy-5a-Cholanoate
- (3alpha,5alpha,7beta,12alpha)-3,7,12-Trihydroxycholan-24-oic acid
- 3alpha,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic Acid
- (4R)-4-[(3R,5R,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
- 3alpha,7beta,12alpha-Trihydroxy-5alpha-Cholanoic acid
- DB-214796
- LMST04010096
- CHEBI:175284
- (3I+/-,5I+/-,7I(2),12I+/-)-3,7,12-Trihydroxycholan-24-oic acid
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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-PWNRUWOFSA-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: 408.28757437g/mol
- 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
(3a,5a,7b,12a)-3,7,12-trihydroxy-Cholan-24-oic acid Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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