Cas no 216062-80-5 (Androst-5-en-17-one,3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3b,7b)- (9CI))
216062-80-5 structure
Product Name:Androst-5-en-17-one,3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3b,7b)- (9CI)
CAS No:216062-80-5
MF:C28H36O4
MW:436.583048820496
CID:243236
PubChem ID:45092574
Update Time:2025-04-19
Androst-5-en-17-one,3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3b,7b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Androst-5-en-17-one,3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3b,7b)- (9CI)
- Androst-5-en-17-one, 3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3beta,7beta)- (9CI)
- [(3S,7R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl] 3-phenylpropanoate
- 216062-80-5
- DTXSID80667014
- (3beta)-3-Hydroxy-17-oxoandrost-5-en-7-yl 3-phenylpropanoate
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- Inchi： 1S/C28H36O4/c1-27-14-12-20(29)16-19(27)17-23(32-25(31)11-8-18-6-4-3-5-7-18)26-21-9-10-24(30)28(21,2)15-13-22(26)27/h3-7,17,20-23,26,29H,8-16H2,1-2H3/t20-,21-,22-,23-,26-,27-,28-/m0/s1
- InChI Key： HTAVSRBNQWIPFL-COMDTVPXSA-N
- SMILES： O(C(CCC1C=CC=CC=1)=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: 436.26148
- Monoisotopic Mass: 436.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 780
- 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: 4.6
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Androst-5-en-17-one,3-hydroxy-7-(1-oxo-3-phenylpropoxy)-, (3b,7b)- (9CI) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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