Chem
J-GLOBAL ID：200907001728937684   Nikkaji number：J1.722.596K

PS-258B

(E)-2-メチル-4-[[(3aR)-1-メチル-1,2,3,3a,8,8aα-ヘキサヒドロピロロ[2,3-b]インドール]-3aα-イル]-3-ブテン-1-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： C16H22N2O
Molecular formula furigana： C16-H22-N2-O
Molecular weight： 258.365
InChI： InChI=1S/C16H22N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-8,12,15,17,19H,9-11H2,1-2H3/b8-7+/t12?,15-,16-/m0/s1
InChI key： RWSVKWVZZRWTBF-UHXKPTAFSA-N
SMILES： CC(CO)/C=C/[C@@]12CCN(C)[C@@H]1Nc1ccccc21
Systematic name  (3)：
  • (E)-2-メチル-4-[[(3aR)-1-メチル-1,2,3,3a,8,8aα-ヘキサヒドロピロロ[2,3-b]インドール]-3aα-イル]-3-ブテン-1-オール
  • (3E)-4-[(3aR,8aS)-1-メチル-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール-3a-イル]-2-メチルブタ-3-エン-1-オール
  • (3E)-4-[(3aR,8aS)-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-2-methylbut-3-en-1-ol
Other name (2)：
  • (E)-2-Methyl-4-[[(3aR)-1-methyl-1,2,3,3a,8,8aα-hexahydropyrrolo[2,3-b]indole]-3aα-yl]-3-butene-1-ol
  • PS-258B
Thsaurus map：
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