Cas no 502849-04-9 (Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7alpha)- (9CI))
502849-04-9 structure
Product Name:Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7alpha)- (9CI)
CAS No:502849-04-9
MF:C19H28O3
MW:304.423826217651
CID:1022329
PubChem ID:11544015
Update Time:2025-04-20
Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7alpha)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7alpha)- (9CI)
- 502849-04-9
- DTXSID20468340
- SCHEMBL6438946
- 3alpha,7alpha-Dihydroxyandrost-5-en-17-one
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- Inchi： 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13+,14+,15-,17+,18+,19+/m1/s1
- InChI Key： OLPSAOWBSPXZEA-VFELUIQASA-N
- SMILES： O[C@@H]1C=C2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)C(CC[C@H]3[C@@H]21)=O)O
Computed Properties
- Exact Mass: 304.20384475g/mol
- Monoisotopic Mass: 304.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 539
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 57.5?2
Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7alpha)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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