Cas no 2204-14-0 (Me ester-5beta-Cholan-24-oic acid)
2204-14-0 structure
Product Name:Me ester-5beta-Cholan-24-oic acid
CAS No:2204-14-0
MF:C25H42O2
MW:374.599788188934
CID:2032647
PubChem ID:10339412
Update Time:2025-04-21
Me ester-5beta-Cholan-24-oic acid Chemical and Physical Properties
Names and Identifiers
-
- Me ester-5beta-Cholan-24-oic acid
- Q27259760
- METHYL CHOLANATE, (5.BETA.)-
- 4JP0S5G9XV
- Methyl 5.beta.-cholanate
- Cholan-24-oic acid, methyl ester, (5.beta.)-
- Methyl-5beta-cholanoate
- SCHEMBL16892648
- UNII-4JP0S5G9XV
- Methyl cholan-24-oate #
- 5beta-Cholanic acid methyl ester
- (5beta)-methyl cholanate
- 5.beta.-Cholan-24-oic acid, methyl ester
- 2204-14-0
- Methyl-5beta-cholan-24-oate
- Methyl-5.beta.-cholanoate
- Methyl cholanate, (5beta)-
- Methyl 5beta-cholanate
- Methyl-5.beta.-cholan-24-oate
- 5.beta.-Cholanic acid methyl ester
- Cholan-24-oic acid, methyl ester, (5beta)-
-
- Inchi： 1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1
- InChI Key： YHTRVWPOAJKWBV-ZXKBGTPZSA-N
- SMILES： O(C)C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 374.318480578g/mol
- Monoisotopic Mass: 374.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 557
- 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: 8.3
- Topological Polar Surface Area: 26.3?2
Me ester-5beta-Cholan-24-oic acid Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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