Chem
J-GLOBAL ID：200907077013129552   Nikkaji number：J203.273B

11β,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dione

11β,17-ジヒドロキシ-21-[[[(1-オキソオクタデシル)オキシ]アセチル]オキシ]プレグナ-1,4-ジエン-3,20-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H64O8
Molecular formula furigana： C41-H64-O8
Molecular weight： 684.955
InChI： InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1
InChI key： RBJROVWIRLFZFC-PNLFXGMVSA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 11β,17-ジヒドロキシ-21-[[[(1-オキソオクタデシル)オキシ]アセチル]オキシ]プレグナ-1,4-ジエン-3,20-ジオン
  • 2-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエトキシ}-2-オキソエチル オクタデカノアート
  • 2-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-2-oxoethyl octadecanoate
Other name (1)：
  • 11β,17-Dihydroxy-21-[[[(1-oxooctadecyl)oxy]acetyl]oxy]pregna-1,4-diene-3,20-dione
CAS registry number： 5060-55-9
Regulation number (1)：
  • EINECS2257639
KEGG DRUG： D08415
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