Pseudopterosin E
HIT212717837
sdf文件结构编辑类似物检索
HIT ID: HIT212717837
Cas No: 121011-80-1
分子式: C26H38O6
分子量: 446.584
常用名: Pseudopterosin E
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 4.52355
IUPAC: (2S,3S,4R,5S,6S)-2-{[(1S,3R,7S,9aR)-6-hydroxy-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC: (2S,3S,4R,5S,6S)-2-{[(1S,3R,7S,9aR)-6-hydroxy-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-6-methyloxane-3,4,5-triol
SMILES: [H][C@@]12[#6]-[#6]-[#6@H](-[#6])-c3c(-[#8])c(-[#8]-[#6@@H]-4-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-4-[#8])c(-[#6])c(-[#6@H](-[#6]-[#6@@H]1-[#6])\[#6]=[#6](\[#6])-[#6])c23
SMILES: [H][C@@]12[#6]-[#6]-[#6@H](-[#6])-c3c(-[#8])c(-[#8]-[#6@@H]-4-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-4-[#8])c(-[#6])c(-[#6@H](-[#6]-[#6@@H]1-[#6])\[#6]=[#6](\[#6])-[#6])c23
InChI key: LIAAPIYLHKRUNZ-BRPLUSLASA-N
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