Chem
J-GLOBAL ID：200907077963024986   Nikkaji number：J475.133G

EM-123

N-ブチル-17α-エチニル-3,17β-ジヒドロキシ-N-メチルエストラ-1,3,5(10),15-テトラエン-7α-ウンデカンアミド
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： C36H53NO3
Molecular formula furigana： C36-H53-N-O3
Molecular weight： 547.824
InChI： InChI=1S/C36H53NO3/c1-5-7-24-37(4)33(39)17-15-13-11-9-8-10-12-14-16-27-25-28-26-29(38)18-19-30(28)31-20-22-35(3)32(34(27)31)21-23-36(35,40)6-2/h2,18-19,21,23,26-27,31-32,34,38,40H,5,7-17,20,22,24-25H2,1,3-4H3/t27-,31-,32+,34-,35+,36+/m1/s1
InChI key： DVXDOKSZFZWATD-BYBNXOMPSA-N
SMILES： CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C=C[C@@]3(O)C#C)[C@H]12
Systematic name  (3)：
  • N-ブチル-17α-エチニル-3,17β-ジヒドロキシ-N-メチルエストラ-1,3,5(10),15-テトラエン-7α-ウンデカンアミド
  • 11-[(1R,3aS,3bR,4R,9bS,11aS)-1-エチニル-1,7-ジヒドロキシ-11a-メチル-1H,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,3aS,3bR,4R,9bS,11aS)-1-ethynyl-1,7-dihydroxy-11a-methyl-1H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]-N-butyl-N-methylundecanamide
Other name (1)：
  • EM-123
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