Chem
J-GLOBAL ID:200907024200887090
Nikkaji number:J616.212F
Triangularine
トリアングラリン
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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:
C18 H25 NO5
Molecular formula furigana:
C18-H25-N-O5
Molecular weight:
335.400
InChI:
InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4?,13-5-/t15-,16-/m1/s1
InChI key:
GOENJWUGVSLZDQ-LJZDCSDKSA-N
SMILES:
CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)/C(=C\C)/CO)[C@H]12
Systematic name (3):
(Z)-2-(ヒドロキシメチル)-2-ブテン酸[[(1R)-2,3,5,7aβ-テトラヒドロ-1α-[(2-メチル-1-オキソ-2-ブテニル)オキシ]-1H-ピロリザイン]-7-イル]メチル
[(1R,7aR)-1-[(2-メチルブタ-2-エノイル)オキシ]-2,3,5,7a-テトラヒドロ-1H-ピロリジン-7-イル]メチル (2Z)-2-(ヒドロキシメチル)ブタ-2-エノアート
[(1R,7aR)-1-[(2-methylbut-2-enoyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate
Other name (3):
トリアングラリン
Triangularine
(Z)-2-(Hydroxymethyl)-2-butenoic acid [[(1R)-2,3,5,7aβ-tetrahydro-1α-[(2-methyl-1-oxo-2-butenyl)oxy]-1H-pyrrolizin]-7-yl]methyl ester
CAS registry number:
87340-27-0
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