Echinatine N-oxide
HIT213885319
sdf文件结构编辑类似物检索
HIT ID: HIT213885319
Cas No: 20267-93-0
分子式: C15H25NO6
分子量: 315.366
常用名: Echinatine N-oxide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,7aR)-1-hydroxy-7-({[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium-4-olate
IUPAC: (1S,7aR)-1-hydroxy-7-({[(2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium-4-olate
SMILES: CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12 |t:12|
SMILES: CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12 |t:12|
InChI key: DNAWGBOKUFFVMB-ZBEABRROSA-N
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