Chem
J-GLOBAL ID：200907049590704457   Nikkaji number：J2.307.050B

Asoprisnil

アソプリスニル
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/b29-16+/t23-,24-,25-,27-,28+/m0/s1
InChI key： GJMNAFGEUJBOCE-KBDIQMFMSA-N
SMILES： COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](C[C@]12C)c1ccc(/C=N/O)cc1)OC
Systematic name  (3)：
  • (E)-4-[(11S,17S)-17-メトキシ-17-(メトキシメチル)-3-オキソエストラ-4,9-ジエン-11-イル]ベンズアルデヒドオキシム
  • (1S,3aS,3bS,10S,11aS)-10-{4-[(E)-(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,10S,11aS)-10-{4-[(E)-(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)：
  • (E)-4-[(11S,17S)-17-Methoxy-17-(methoxymethyl)-3-oxoestra-4,9-diene-11-yl]benzaldehyde oxime
  • Asoprisnil
  • アソプリスニル
CAS registry number： 199396-76-4
KEGG DRUG： D02996
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