Chem
J-GLOBAL ID:200907019180957130
Nikkaji number:J1.367.578C
6α-Hydroxymethylpenicillanic acid
6α-ヒドロキシメチルペニシラン酸
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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:
C9 H13 NO4 S
Molecular formula furigana:
C9-H13-N-O4-S
Molecular weight:
231.270
InChI:
InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
InChI key:
DJIMYYWAZIOWRD-JCGDXUMPSA-N
SMILES:
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(=O)O
Systematic name (4):
6α-(ヒドロキシメチル)ペニシラン酸
6α-ヒドロキシメチルペニシラン酸
(2S,5R,6R)-6-(ヒドロキシメチル)-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
(2S,5R,6R)-6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (2):
6α-(Hydroxymethyl)penicillanic acid
6α-Hydroxymethylpenicillanic acid
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