Chem
J-GLOBAL ID:200907036674338060
Nikkaji number:J17.701F
Macrophylline
マクロフィリン
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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:
C13 H21 NO3
Molecular formula furigana:
C13-H21-N-O3
Molecular weight:
239.315
InChI:
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1
InChI key:
LVZCTOQMFLAKLI-CSZIUDOQSA-N
SMILES:
C/C=C(/C)\C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
Systematic name (3):
(Z)-2-メチル-2-ブテン酸[(1S,2R,7aR)-ヘキサヒドロ-2β-ヒドロキシ-1H-ピロリザイン-1β-イル]メチル
[(1S,2R,7aR)-2-ヒドロキシ-ヘキサヒドロ-1H-ピロリジン-1-イル]メチル (2Z)-2-メチルブタ-2-エノアート
[(1S,2R,7aR)-2-hydroxy-hexahydro-1H-pyrrolizin-1-yl]methyl (2Z)-2-methylbut-2-enoate
Other name (5):
マクロフィリン
マクロフィリン【Senecio】
Macrophylline
Macrophylline【Senecio】
(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aR)-hexahydro-2β-hydroxy-1H-pyrrolizin-1β-yl]methyl ester
CAS registry number:
27841-97-0
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