Cas no 6959-58-6 (Pregn-1-en-3-one,17-hydroxy-, (5a,17a)-)
6959-58-6 structure
Product Name:Pregn-1-en-3-one,17-hydroxy-, (5a,17a)-
CAS No:6959-58-6
MF:C21H32O2
MW:316.477586746216
CID:514897
PubChem ID:248415
Update Time:2025-04-19
Pregn-1-en-3-one,17-hydroxy-, (5a,17a)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-1-en-3-one,17-hydroxy-, (5a,17a)-
- (8R,9S,10R,13S,14S,17R)-17-ethyl-17-hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
- 17-hydroxypregn-1-en-3-one
- 6959-58-6
- NCIOpen2_008115
- NSC-65408
- DTXSID80989667
- NSC65408
-
- Inchi： 1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h7,10,14,16-18,23H,4-6,8-9,11-13H2,1-3H3
- InChI Key： WPYJZLXFDIBWTK-UHFFFAOYSA-N
- SMILES： OC1(CC)CCC2C3CCC4CC(C=CC4(C)C3CCC21C)=O
Computed Properties
- Exact Mass: 316.24036
- Monoisotopic Mass: 316.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 552
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Pregn-1-en-3-one,17-hydroxy-, (5a,17a)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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