Chem
J-GLOBAL ID：200907057060343448   Nikkaji number：J1.952.334I

3-Methoxy-17-(4-iodophenylethynyl)estra-1,3,5(10),6,8-pentene-17β-ol

3-メトキシ-17-(4-ヨードフェニルエチニル)エストラ-1,3,5(10),6,8-ペンタエン-17β-オール
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： C27H25IO2
Molecular formula furigana： C27-H25-I-O2
Molecular weight： 508.399
InChI： InChI=1S/C27H25IO2/c1-26-14-12-23-22-10-8-21(30-2)17-19(22)5-9-24(23)25(26)13-16-27(26,29)15-11-18-3-6-20(28)7-4-18/h3-10,17,25,29H,12-14,16H2,1-2H3/t25-,26-,27-/m0/s1
InChI key： CKDCMMWELCLHKN-QKDODKLFSA-N
SMILES： COc1ccc2c3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#Cc4ccc(I)cc4)c3ccc2c1
Systematic name  (3)：
  • 3-メトキシ-17-(4-ヨードフェニルエチニル)エストラ-1,3,5(10),6,8-ペンタエン-17β-オール
  • (1S,3aS,11aS)-1-[2-(4-ヨードフェニル)エチニル]-7-メトキシ-11a-メチル-1H,2H,3H,3aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オール
  • (1S,3aS,11aS)-1-[2-(4-iodophenyl)ethynyl]-7-methoxy-11a-methyl-1H,2H,3H,3aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
Other name (1)：
  • 3-Methoxy-17-(4-iodophenylethynyl)estra-1,3,5(10),6,8-pentene-17β-ol
Thsaurus map：
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