Name: Julichrome Q3,5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT102800357
Cas No:31498-89-2
常用名:Julichrome Q3,5
IUPAC:(1R)-1-[(1R,2R,10R,11S,12S)-5-(5-acetyl-1,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3,5,7-trien-11-yl]ethyl acetate
IUPAC:(1R)-1-[(1R,2R,10R,11S,12S)-5-(5-acetyl-1,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2,4,12-trihydroxy-12-methyl-9,14-dioxo-15-oxatetracyclo[8.4.1.0^{1,10}.0^{3,8}]pentadeca-3,5,7-trien-11-yl]ethyl acetate
InChI key:JJRMFXHFOOMZIG-GANHTAAKSA-N

分子式:C36H30O13
分子量:670.623
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:3.553
SMILES:C[C@@H](OC(C)=O)[C@@H]1[C@@]23O[C@@]2([C@H](O)c2c(O)c(ccc2C3=O)-c2ccc3C(=O)c4c(C(C)=O)c(C)cc(O)c4C(=O)c3c2O)C(=O)C[C@]1(C)O
SMILES:C[C@@H](OC(C)=O)[C@@H]1[C@@]23O[C@@]2([C@H](O)c2c(O)c(ccc2C3=O)-c2ccc3C(=O)c4c(C(C)=O)c(C)cc(O)c4C(=O)c3c2O)C(=O)C[C@]1(C)O

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