Chem
J-GLOBAL ID：200907098987360119   Nikkaji number：J575.298A

RU-39411

RU-39411
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： C28H37NO3
Molecular formula furigana： C28-H37-N-O3
Molecular weight： 435.608
InChI： InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27+,28-/m0/s1
InChI key： VBPPJMXMMHJPDP-JZFZMOLRSA-N
SMILES： CN(C)CCOc1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12
Systematic name  (3)：
  • 11β-[4-[2-(ジメチルアミノ)エトキシ]フェニル]-17β-エストラジオール
  • (1S,3aS,3bS,9bR,10S,11aS)-10-{4-[2-(ジメチルアミノ)エトキシ]フェニル}-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1S,3aS,3bS,9bR,10S,11aS)-10-{4-[2-(dimethylamino)ethoxy]phenyl}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • RU-39411
  • 11β-[4-[2-(Dimethylamino)ethoxy]phenyl]-17β-estradiol
CAS registry number： 120382-04-9
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