Cas no 571-45-9 ((9beta,10alpha)-Androst-4-ene-3,17-dione)
571-45-9 structure
Product Name:(9beta,10alpha)-Androst-4-ene-3,17-dione
CAS No:571-45-9
MF:C19H26O2
MW:286.408545970917
CID:2005867
PubChem ID:51571550
Update Time:2025-04-21
(9beta,10alpha)-Androst-4-ene-3,17-dione Chemical and Physical Properties
Names and Identifiers
-
- (9beta,10alpha)-Androst-4-ene-3,17-dione
- 571-45-9
- DTXSID20859052
- Retroandrostenedione
- SCHEMBL11876371
-
- Inchi： 1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16+,18+,19-/m0/s1
- InChI Key： AEMFNILZOJDQLW-APWQULEDSA-N
- SMILES： O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CCC(C=C3CC[C@H]12)=O
Computed Properties
- Exact Mass: 286.193280068g/mol
- Monoisotopic Mass: 286.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 546
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 34.1?2
(9beta,10alpha)-Androst-4-ene-3,17-dione Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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