Cas no 53512-52-0 ((3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione)
53512-52-0 structure
Product Name:(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione
CAS No:53512-52-0
MF:C19H28O3
MW:304.423826217651
CID:2669825
Update Time:2023-08-06
(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione Chemical and Physical Properties
Names and Identifiers
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- 3β-Hydroxy-5β-androstane-6,17-dione
- (3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclo
- (3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-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-WLGYCZFTSA-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
(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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