Chem
J-GLOBAL ID：200907059462230790   Nikkaji number：J1.073.499A

N-[[(1R)-7-Isopropyl-1,4aβ-dimethyl 1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-yl]methyl]pyrene-1-butanamide

N-[[(1R)-7-イソプロピル-1,4aβ-ジメチル1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-1α-イル]メチル]ピレン-1-ブタンアミド
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： C40H45NO
Molecular formula furigana： C40-H45-N-O
Molecular weight： 555.806
InChI： InChI=1S/C40H45NO/c1-26(2)31-17-20-34-32(24-31)18-21-35-39(3,22-7-23-40(34,35)4)25-41-36(42)11-6-8-27-12-13-30-15-14-28-9-5-10-29-16-19-33(27)38(30)37(28)29/h5,9-10,12-17,19-20,24,26,35H,6-8,11,18,21-23,25H2,1-4H3,(H,41,42)/t35-,39-,40+/m0/s1
InChI key： GYNBRMCIXHKCOY-QFDLSWEHSA-N
SMILES： CC(C)c1ccc2c(CC[C@H]3[C@](C)(CNC(=O)CCCc4ccc5ccc6cccc7ccc4c5c67)CCC[C@]23C)c1
Systematic name  (3)：
  • N-[[(1R)-7-イソプロピル-1,4aβ-ジメチル1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-1α-イル]メチル]ピレン-1-ブタンアミド
  • N-{[(1R,4aS,10aR)-1,4a-ジメチル-7-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-1-イル]メチル}-4-(ピレン-1-イル)ブタンアミド
  • N-{[(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methyl}-4-(pyren-1-yl)butanamide
Other name (1)：
  • N-[[(1R)-7-Isopropyl-1,4aβ-dimethyl 1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-yl]methyl]pyrene-1-butanamide
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