Chem
J-GLOBAL ID:200907022572830172
Nikkaji number:J57.969F
Coronatine
コロナチン
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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 NO4
Molecular formula furigana:
C18-H25-N-O4
Molecular weight:
319.401
InChI:
InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1
InChI key:
FMGBNISRFNDECK-CZSBRECXSA-N
SMILES:
CC[C@H]1C[C@@]1(NC(=O)C1=C[C@H](CC)C[C@H]2[C@@H]1CCC2=O)C(=O)O
Systematic name (4):
(1S,2S)-2-エチル-1-[[[(3aS)-6α-エチル-2,3,3aβ,6,7,7aβ-ヘキサヒドロ-1-オキソ-1H-インデン-4-イル]カルボニル]アミノ]シクロプロパンカルボン酸
(1S,2S)-2-エチル-1-[[[(3aS,6R,7aS)-6-エチル-2,3,3a,6,7,7a-ヘキサヒドロ-1-オキソ-1H-インデン-4-イル]カルボニル]アミノ]シクロプロパンカルボン酸
(1S,2S)-1-[(3aS,6R,7aS)-6-エチル-1-オキソ-2,3,3a,6,7,7a-ヘキサヒドロ-1H-インデン-4-アミド]-2-エチルシクロプロパン-1-カルボン酸
(1S,2S)-1-[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-amido]-2-ethylcyclopropane-1-carboxylic acid
Other name (6):
コロナチン
Coronatine
(1S,2S)-2-Ethyl-1-[[[(3aS)-6α-ethyl-2,3,3aβ,6,7,7aβ-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]cyclopropanecarboxylic acid
(+)-コロナチン
(+)-Coronatine
(1S,2S)-2-Ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-yl]carbonyl]amino]cyclopropanecarboxylic acid
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CAS registry number:
62251-96-1
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