Chem
J-GLOBAL ID：200907054872655584   Nikkaji number：J1.398.666E

J-867

J-867
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： C28H35NO4
Molecular formula furigana： C28-H35-N-O4
Molecular weight： 449.591
InChI： InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
InChI key： GJMNAFGEUJBOCE-YTFMROOWSA-N
SMILES： COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(C=NO)cc1)OC
Systematic name  (3)：
  • 11β-[4-(ヒドロキシイミノメチル)フェニル]-17α-(メトキシメチル)-17-メトキシエストラ-4,9-ジエン-3-オン
  • (1S,3aS,3bS,10R,11aS)-10-{4-[(ヒドロキシイミノ)メチル]フェニル}-1-メトキシ-1-(メトキシメチル)-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,10R,11aS)-10-{4-[(hydroxyimino)methyl]phenyl}-1-methoxy-1-(methoxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • 11β-[4-(Hydroxyiminomethyl)phenyl]-17α-(methoxymethyl)-17-methoxyestra-4,9-diene-3-one
  • J-867
  • J867
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