Chem
J-GLOBAL ID：200907086609928354
Nikkaji number：J1.722.594D
PS-256
(E)-2-メチル-4-[[(3aS)-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]-2-ブテナール
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： C16H20N2O
Molecular formula furigana： C16-H20-N2-O
Molecular weight： 256.349
InChI：
InChI=1S/C16H20N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-7,11,15,17H,8-10H2,1-2H3/b12-7+/t15-,16-/m0/s1
InChI key：
BLTJVWNYDVIKQG-FKZPHDOYSA-N
SMILES：
CN1CC[C@]2(C/C=C(\C)/C=O)[C@H]1Nc1ccccc21
Systematic name (3)：
- (E)-2-メチル-4-[[(3aS)-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]-2-ブテナール
- (2E)-4-[(3aS,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-2-エナール
- (2E)-4-[(3aS,8aS)-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-2-methylbut-2-enal
- (E)-2-Methyl-4-[[(3aS)-1-methyl-1,2,3,3a,8,8aα-hexahydropyrrolo[2,3-b]indole]-3aα-yl]-2-butenal
- PS-256
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