Chem
J-GLOBAL ID:200907028018153418   Nikkaji number:J2.503.821E

1-Benzyl 6-methyl-9,10-didehydroergoline-8β-methanol

1-ベンジル6-メチル-9,10-ジデヒドロエルゴリン-8β-メタノール
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: C23H24N2O
Molecular formula furigana: C23-H24-N2-O
Molecular weight: 344.458
InChI: InChI=1S/C23H24N2O/c1-24-12-17(15-26)10-20-19-8-5-9-21-23(19)18(11-22(20)24)14-25(21)13-16-6-3-2-4-7-16/h2-10,14,17,22,26H,11-13,15H2,1H3/t17-,22-/m1/s1
InChI key: KXKDYLWDDPPJRG-VGOFRKELSA-N
SMILES: CN1C[C@H](CO)C=C2[C@H]1Cc1cn(Cc3ccccc3)c3cccc2c13
Systematic name  (3):
  • 1-ベンジル6-メチル-9,10-ジデヒドロエルゴリン-8β-メタノール
  • [(4R,7R)-11-ベンジル-6-メチル-6,11-ジアザテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-1(16),2,9,12,14-ペンタエン-4-イル]メタノール
  • [(4R,7R)-11-benzyl-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methanol
Other name (1):
  • 1-Benzyl 6-methyl-9,10-didehydroergoline-8β-methanol
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