Chem
J-GLOBAL ID：200907094999147997
Nikkaji number：J1.090.994E
MSVIII-19
8,9-ジデオキシネオジシヘルバインA
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
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
Molecular formula： C11H17NO6
Molecular formula furigana： C11-H17-N-O6
Molecular weight： 259.257
InChI：
InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11+/m0/s1
InChI key：
RZIYCCQNKHONBB-PRKAOEEVSA-N
SMILES：
N[C@@H](C[C@@]1(C[C@H]2OCCC[C@H]2O1)C(=O)O)C(=O)O
Systematic name (5)：
- (1α,6α)-8-[(S)-2-アミノ-2-カルボキシエチル]-2,7-ジオキサビシクロ[4.3.0]ノナン-8β-カルボン酸
- 3-[(2R,3aα,7aα)-2-カルボキシヘキサヒドロ-2H-フロ[3,2-b]ピラン-2α-イル]-L-アラニン
- (2S)-2-アミノ-3-[[(2R)-2-カルボキシ-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,7aR)-2-[(2S)-2-アミノ-2-カルボキシエチル]-ヘキサヒドロ-2H-フロ[3,2-b]ピラン-2-カルボン酸
- (2R,3aR,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
- (1α,6α)-8-[(S)-2-Amino-2-carboxyethyl]-2,7-dioxabicyclo[4.3.0]nonane-8β-carboxylic acid
- 3-[(2R,3aα,7aα)-2-Carboxyhexahydro-2H-furo[3,2-b]pyran-2α-yl]-L-alanine
- MSVIII-19
- (2S)-2-Amino-3-[[(2R)-2-carboxy-3,3aα,5,6,7,7aα-hexahydro-2H-furo[3,2-b]pyran]-2α-yl]propionic acid
- 8,9-ジデオキシネオジシヘルバインA
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