Cas no 53512-53-1 (Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)-)
53512-53-1 structure
Product Name:Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)-
CAS No:53512-53-1
MF:C19H28O3
MW:304.423826217651
CID:2669826
Update Time:2023-08-06
Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)- Chemical and Physical Properties
Names and Identifiers
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- 3α-Hydroxy-5α-androstane-6,17-dione
- HMFQSUMWKTYRNZ-FDBFDOPYSA-N
- Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)-
-
- Inchi： 1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-15,20H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,18-,19+/m1/s1
- InChI Key： HMFQSUMWKTYRNZ-FDBFDOPYSA-N
- SMILES： O=C1C[C@H]2[C@@H]3CCC([C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](C[C@@H]21)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 527
- Topological Polar Surface Area: 54.4
Androstane-6,17-dione, 3-hydroxy-, (3alpha,5alpha)- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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