Cas no 15073-88-8 (Dehydrocholsaeure)
Dehydrocholsaeure structure
Product Name:Dehydrocholsaeure
CAS No:15073-88-8
MF:C24H34O5
MW:402.523767948151
CID:2071595
PubChem ID:5284120
Update Time:2025-04-21
Dehydrocholsaeure Chemical and Physical Properties
Names and Identifiers
-
- Dehydrocholsaeure
- 3,7,12-trioxo-5alpha-cholan-24-oic Acid
- 3,7,12-Trioxo-5alpha-cholanic acid
- 15073-88-8
- Q63398325
- 3,7,12-Trioxo-5a-cholan-24-oic acid
- DTXSID90861824
- LMST04010375
-
- Inchi： 1S/C24H34O5/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/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14-,16-,17+,18+,22+,23+,24-/m1/s1
- InChI Key： OHXPGWPVLFPUSM-NHJLYVEHSA-N
- SMILES： O=C1C[C@@H]2[C@@]3(C)CCC(C[C@@H]3CC([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)=O)=O
Computed Properties
- Exact Mass: 402.24062418Da
- Monoisotopic Mass: 402.24062418Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 756
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 88.5?2
Dehydrocholsaeure Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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