Compound 0080-0061
HIT211253651
sdf文件结构编辑类似物检索
HIT ID: HIT211253651
Cas No: 54676-88-9
分子式: C24H26O7
分子量: 426.465
常用名: Compound 0080-0061
氢键受体数 (HBA): 10
氢键供体数 (HBD): 0
LogP: 4.8
IUPAC: (9R,10R)-8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
IUPAC: (9R,10R)-8,8-dimethyl-10-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
SMILES: [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]-1-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#8]-c2ccc3ccc(=O)oc3c-12
SMILES: [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]-1-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#8]-c2ccc3ccc(=O)oc3c-12
InChI key: UHWIZIJICYWABA-DHIUTWEWSA-N
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