Chem
J-GLOBAL ID:200907047335069206
Nikkaji number:J1.722.599E
PS-332
(E)-2-メチル-4-[[(3aS)-1-メチル-5-ヒドロキシ-6-メトキシ-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
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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:
C18 H24 N2 O4
Molecular formula furigana:
C18-H24-N2-O4
Molecular weight:
332.400
InChI:
InChI=1S/C18H24N2O4/c1-11(16(22)24-4)5-6-18-7-8-20(2)17(18)19-13-10-15(23-3)14(21)9-12(13)18/h5,9-10,17,19,21H,6-8H2,1-4H3/b11-5+/t17-,18-/m0/s1
InChI key:
ALIZZKDFAUEXAD-NBJYEVHWSA-N
SMILES:
COC(=O)/C(=C/C[C@@]12CCN(C)[C@@H]1Nc1cc(OC)c(O)cc21)/C
Systematic name (3):
(E)-2-メチル-4-[[(3aS)-1-メチル-5-ヒドロキシ-6-メトキシ-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-6-メトキシ-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-6-methoxy-1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-2-methylbut-2-enoate
Other name (2):
(E)-2-Methyl-4-[[(3aS)-1-methyl-5-hydroxy-6-methoxy-1,2,3,3a,8,8aα-hexahydropyrrolo[2,3-b]indole]-3aα-yl]-2-butenoic acid methyl ester
PS-332
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