Chem
J-GLOBAL ID:200907098141319353
Nikkaji number:J2.358.573A
9-Deoxyneodysiherbaine A
9-デオキシネオジシヘルバインA
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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:
C11 H17 NO7
Molecular formula furigana:
C11-H17-N-O7
Molecular weight:
275.257
InChI:
InChI=1S/C11H17NO7/c12-5(9(14)15)3-11(10(16)17)4-7-8(19-11)6(13)1-2-18-7/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6+,7+,8+,11+/m0/s1
InChI key:
KHYCZTHJICFSLU-XMURUDDGSA-N
SMILES:
N[C@@H](C[C@@]1(C[C@H]2OCC[C@@H](O)[C@H]2O1)C(=O)O)C(=O)O
Systematic name (5):
3-[(2R,3aα,7aα)-2-カルボキシ-7β-ヒドロキシヘキサヒドロ-2H-フロ[3,2-b]ピラン-2α-イル]-L-アラニン
3-[(2R,3aα,7aα)-2-カルボキシヘキサヒドロ-7β-ヒドロキシ-2H-フロ[3,2-b]ピラン-2α-イル]-L-アラニン
(2S)-2-アミノ-3-[[(2R)-2-カルボキシ-7β-ヒドロキシ-3,3aα,5,6,7,7aα-ヘキサヒドロ-2H-フロ[3,2-b]ピラン]-2α-イル]プロピオン酸
(2R,3aR,7R,7aR)-2-[(2S)-2-アミノ-2-カルボキシエチル]-7-ヒドロキシ-ヘキサヒドロ-2H-フロ[3,2-b]ピラン-2-カルボン酸
(2R,3aR,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-7-hydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
Other name (5):
3-[(2R,3aα,7aα)-2-Carboxy-7β-hydroxyhexahydro-2H-furo[3,2-b]pyran-2α-yl]-L-alanine
3-[(2R,3aα,7aα)-2-Carboxyhexahydro-7β-hydroxy-2H-furo[3,2-b]pyran-2α-yl]-L-alanine
(2S)-2-Amino-3-[[(2R)-2-carboxy-7β-hydroxy-3,3aα,5,6,7,7aα-hexahydro-2H-furo[3,2-b]pyran]-2α-yl]propionic acid
9-デオキシネオジシヘルバインA
9-Deoxyneodysiherbaine A
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