Reveromycin B
HIT212039097
sdf文件结构编辑类似物检索
HIT ID: HIT212039097
Cas No: 144860-68-4
分子式: C36H52O11
分子量: 660.801
常用名: Reveromycin B
氢键受体数 (HBA): 10
氢键供体数 (HBD): 4
LogP: 5.9440227
IUPAC: (2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-[(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methylpenta-2,4-dien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
IUPAC: (2E,4S,5S,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-[(1S,2E,4E)-5-carboxy-1-[(3-carboxypropanoyl)oxy]-4-methylpenta-2,4-dien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
SMILES: CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O1)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O
SMILES: CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O1)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O
InChI key: XVFQIVPMOPJEIO-OXVOKJAASA-N
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