Cas no 5665-62-3 (20-Carboxypregnane)
20-Carboxypregnane structure
Product Name:20-Carboxypregnane
CAS No:5665-62-3
MF:C22H36O2
MW:332.520047187805
CID:2685103
PubChem ID:54126298
Update Time:2025-04-21
20-Carboxypregnane Chemical and Physical Properties
Names and Identifiers
-
- 2-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
- SCHEMBL9173827
- 5665-62-3
- DTXSID10709198
- 20-Carboxypregnane
-
- Inchi： 1S/C22H36O2/c1-14(20(23)24)17-9-10-18-16-8-7-15-6-4-5-12-21(15,2)19(16)11-13-22(17,18)3/h14-19H,4-13H2,1-3H3,(H,23,24)/t14?,15?,16-,17+,18-,19-,21-,22+/m0/s1
- InChI Key： NRESKKGDHRQEMH-HPGXARPTSA-N
- SMILES： OC(C(C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 332.271530387Da
- Monoisotopic Mass: 332.271530387Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 514
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 37.3?2
20-Carboxypregnane Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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