Chem
J-GLOBAL ID：200907070947291511   Nikkaji number：J1.801.590K

(E)-3-[4-[3-(3-Methoxy-17-bromoestra-1(10),2,4,16-tetrene-16-yl)acryloyl]phenyl]acrylic acid methyl ester

(E)-3-[4-[3-(3-メトキシ-17-ブロモエストラ-1(10),2,4,16-テトラエン-16-イル)アクリロイル]フェニル]アクリル酸メチル
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： C32H33BrO4
Molecular formula furigana： C32-H33-BR-O4
Molecular weight： 561.516
InChI： InChI=1S/C32H33BrO4/c1-32-17-16-26-25-13-11-24(36-2)18-22(25)9-12-27(26)28(32)19-23(31(32)33)10-14-29(34)21-7-4-20(5-8-21)6-15-30(35)37-3/h4-8,10-11,13-15,18,26-28H,9,12,16-17,19H2,1-3H3/b14-10?,15-6+/t26-,27-,28+,32+/m1/s1
InChI key： DGEPRGXRQMMDFR-KUCYPXNQSA-N
SMILES： COC(=O)/C=C/c1ccc(cc1)C(=O)C=CC1=C(Br)[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OC)ccc34)[C@@H]2C1
Systematic name  (3)：
  • (E)-3-[4-[3-(3-メトキシ-17-ブロモエストラ-1(10),2,4,16-テトラエン-16-イル)アクリロイル]フェニル]アクリル酸メチル
  • メチル (2E)-3-(4-{3-[(3aS,3bR,9bS,11aS)-1-ブロモ-7-メトキシ-11a-メチル-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2-イル]プロパ-2-エノイル}フェニル)プロパ-2-エノアート
  • methyl (2E)-3-(4-{3-[(3aS,3bR,9bS,11aS)-1-bromo-7-methoxy-11a-methyl-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]prop-2-enoyl}phenyl)prop-2-enoate
Other name (1)：
  • (E)-3-[4-[3-(3-Methoxy-17-bromoestra-1(10),2,4,16-tetrene-16-yl)acryloyl]phenyl]acrylic acid methyl ester
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