Cas no 4601-47-2 (3beta-Hydroxy-5alpha-androstane-6,17-dione)
4601-47-2 structure
Product Name:3beta-Hydroxy-5alpha-androstane-6,17-dione
CAS No:4601-47-2
MF:C19H28O3
MW:304.423826217651
CID:2666749
Update Time:2023-08-06
3beta-Hydroxy-5alpha-androstane-6,17-dione Chemical and Physical Properties
Names and Identifiers
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- 3β-Hydroxy-5α-androstane-6,17-dione
- 3beta-Hydroxy-5alpha-androstane-6,17-dione
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- 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-/m0/s1
- InChI Key： HMFQSUMWKTYRNZ-ZTWNCRQDSA-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
3beta-Hydroxy-5alpha-androstane-6,17-dione Related Literature
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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