Name: Isobutylshikonin
Rating: 5 (10 reviews)

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HIT ID:HIT212665081
Cas No:52438-12-7
常用名:Isobutylshikonin
别名:异丁酰紫草素
IUPAC:(1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate
IUPAC:(1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate
InChI key:BVRYLTBIGIAADD-MRXNPFEDSA-N

分子式:C20H22O6
分子量:358.39
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:4.6962886
SMILES:[#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:12|
SMILES:[#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:12|

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