Name: Heliotrine N-oxide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323948
Cas No:6209-65-0
常用名:Heliotrine N-oxide
IUPAC:[(1S,7aR)-1-hydroxy-4-oxo-2,3,5,7a-tetrahydro-1H-4lambda5-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
IUPAC:[(1S,7aR)-1-hydroxy-4-oxo-2,3,5,7a-tetrahydro-1H-4lambda5-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
InChI key:QSTHEUSPIBEICI-MCAMCBDESA-N

分子式:C16H27NO6
分子量:329.393
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12[C@@H](O)CCN1(=O)CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC |c:10|
SMILES:[H][C@@]12[C@@H](O)CCN1(=O)CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC |c:10|

Heliotrine N-oxide (Standard) 是 Heliotrine N-oxide 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Heliotrine N-oxide is the pyrrolizidine alkaloid (PA) N-oxide counterpart of Heliotrine. It induces the generation of pyrrolic DNA adducts, potentially initiating PA-induced liver tumors in vivo.

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