Chem
J-GLOBAL ID：200907027794979931
Nikkaji number：J407.441F
EM-139
EM-139
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
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
Molecular formula： C34H54ClNO3
Molecular formula furigana： C34-H54-CL-N-O3
Molecular weight： 560.260
InChI：
InChI=1S/C34H54ClNO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28-,29+,30-,32-,33+,34+/m1/s1
InChI key：
FQJIZXBCOKNLMR-FTAPQOLWSA-N
SMILES：
CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)[C@H](Cl)C[C@H]3[C@H]12
Systematic name (5)：
- N-ブチル-N-メチル-11-[16α-クロロ-3,17β-ジヒドロキシエストラ-1,3,5(10)-トリエン-7α-イル]ウンデカンアミド
- N-ブチル-N-メチル-11-[3,17β-ジヒドロキシ-16α-クロロエストラ-1,3,5(10)-トリエン-7α-イル]ウンデカンアミド
- N-メチル-N-ブチル-16α-クロロ-3,17β-ジヒドロキシエストラ-1,3,5(10)-トリエン-7α-ウンデカンアミド
- 11-[(1R,2R,3aS,3bR,4R,9bS,11aS)-2-クロロ-1,7-ジヒドロキシ-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-4-イル]-N-ブチル-N-メチルウンデカンアミド
- 11-[(1R,2R,3aS,3bR,4R,9bS,11aS)-2-chloro-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]-N-butyl-N-methylundecanamide
- EM-139
- N-Methyl-N-butyl-16α-chloro-3,17β-dihydroxyestra-1,3,5(10)-triene-7α-undecanamide
- N-Butyl-N-methyl-11-[3,17β-dihydroxy-16α-chloroestra-1,3,5(10)-trien-7α-yl]undecanamide
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