Chem
J-GLOBAL ID：200907010969390626
Nikkaji number：J1.722.597I
PS-302
(E)-2-メチル-4-[[(3aS)-1-メチル-5-ヒドロキシ-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-ブテン酸メチル
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： C17H22N2O3
Molecular formula furigana： C17-H22-N2-O3
Molecular weight： 302.374
InChI：
InChI=1S/C17H22N2O3/c1-11(15(21)22-3)6-7-17-8-9-19(2)16(17)18-14-5-4-12(20)10-13(14)17/h4-6,10,16,18,20H,7-9H2,1-3H3/b11-6+/t16-,17-/m0/s1
InChI key：
VAHKEXGAPJHHGJ-ODPBWZCHSA-N
SMILES：
COC(=O)/C(=C/C[C@@]12CCN(C)[C@@H]1Nc1ccc(O)cc21)/C
Systematic name (3)：
- (E)-2-メチル-4-[[(3aS)-1-メチル-5-ヒドロキシ-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-ブテン酸メチル
- メチル (2E)-4-[(3aS,8aS)-5-ヒドロキシ-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-エノアート
- methyl (2E)-4-[(3aS,8aS)-5-hydroxy-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-2-methylbut-2-enoate
- (E)-2-Methyl-4-[[(3aS)-1-methyl-5-hydroxy-1,2,3,3a,8,8aα-hexahydropyrrolo[2,3-b]indole]-3aα-yl]-2-butenoic acid methyl ester
- PS-302
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