Androsta-1,4-diene-3,11,17-trione (8S,9S,10R,13S,14S)-10,13-二甲基-6,7,8,9,12,14,15,16-八氢环戊二烯并[a]菲-3,11,17-三酮

CAS 7738-93-4 MFCD00021109

化学结构图

7738-93-4
SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O

化学属性

Mol. FormulaC19H22O3
Mol. Weight298.38
Melting Point193-198°C
Boiling Point

别名和识别编码

Chemical NameAndrosta-1,4-diene-3,11,17-trione
Synonym (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione Adrosta-DT Androsta-1,4-diene-3,11,17-trione D1-Adrenosterone NSC 82849 androsta-1,4-diene-3,11,17-trione {} {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione {} {} {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione {} {} {} {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione {} {} {} {} {} {} {} {} {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,17-trione {} {} {} {} {} {LY} (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11,1
Chemical Name Translation (8S,9S,10R,13S,14S)-10,13-二甲基-6,7,8,9,12,14,15,16-八氢环戊二烯并[a]菲-3,11,17-三酮
InChIKeyRZACPWSZIQKVDY-IRIMSJTPSA-N
PubChem Substance ID111330
InChIInChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-14,17H,3-6,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
MDL NumberMFCD00021109
CAS Number7738-93-4
Canonical SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
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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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Storage condition -20

系列性分类

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