5BETA-ANDROSTAN-3,17-DIONE (5R,8R,9S,10S,13S,14S)-10,13-二甲基十四氢-3H-环戊[a]菲-3,17(2H)-二酮

CAS 1229-12-5 MFCD00021122

化学结构图

1229-12-5
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O

化学属性

Mol. FormulaC19H28O2
Mol. Weight288.42

别名和识别编码

Chemical Name5BETA-ANDROSTAN-3,17-DIONE
Synonym (5R,8R,10S,13S)-10,13-Dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,17-dione (5R,8R,10S,13S)-10,13-Dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,17-dione (5R,8R,9S,10S,13S,14S)-10,13-dimethyltetradecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione
Chemical Name Translation(5R,8R,9S,10S,13S,14S)-10,13-二甲基十四氢-3H-环戊[a]菲-3,17(2H)-二酮
PubChem Substance ID440114
InChIInChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
CAS Number1229-12-5
Canonical SMILESC[C@@]12CCC(=O)C[C@H]2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]31
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; chiral; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

系列性分类

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