Name: Enhydrin chlorohydrin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886778
Cas No:38230-99-8
常用名:Enhydrin chlorohydrin
IUPAC:methyl (1S,2R,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-[(3-chloro-2-hydroxy-2-methylbutanoyl)oxy]-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-ene-8-carboxylate
IUPAC:methyl (1S,2R,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-[(3-chloro-2-hydroxy-2-methylbutanoyl)oxy]-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-ene-8-carboxylate
InChI key:MSWKJHPZUAQCMP-WNUXRCLTSA-N

分子式:C23H29ClO10
分子量:500.93
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)(O)C(C)Cl)[C@H]\1OC(C)=O |t:4|
SMILES:COC(=O)C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)(O)C(C)Cl)[C@H]\1OC(C)=O |t:4|

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