Name: 4'-O-Demethyldianemycin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619223
Cas No:80118-77-0
常用名:4'-O-Demethyldianemycin
别名:TM-531B
IUPAC:sodium 8-(9-hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoate
IUPAC:sodium 8-(9-hydroxy-2-{2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoate
InChI key:InChIKey=ADYLKKNJVNJGFD-UHFFFAOYSA-M

分子式:C46H75NaO14
分子量:875.082
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CC(CC(C)C(=O)C(C)=CC(C)C1OC2(CCC(C)(O2)C2CC(OC3CCC(O)C(C)O3)C(C)C3(OC(CC3C)C3OC(O)(CO)C(C)CC3C)O2)CC(O)C1C)C([O-])=O
SMILES:[Na+].CC(CC(C)C(=O)C(C)=CC(C)C1OC2(CCC(C)(O2)C2CC(OC3CCC(O)C(C)O3)C(C)C3(OC(CC3C)C3OC(O)(CO)C(C)CC3C)O2)CC(O)C1C)C([O-])=O

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