Name: Symphonone I
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317081
Cas No:1235774-18-1
常用名:Symphonone I
IUPAC:(1R,3S,6S,17S,19S)-6,11,12-trihydroxy-18,18-dimethyl-3,17,19-tris(3-methylbut-2-en-1-yl)-4-methylidene-15-oxapentacyclo[15.3.1.0^{1,6}.0^{7,16}.0^{9,14}]henicosa-7(16),9,11,13-tetraene-8,21-dione
IUPAC:(1R,3S,6S,17S,19S)-6,11,12-trihydroxy-18,18-dimethyl-3,17,19-tris(3-methylbut-2-en-1-yl)-4-methylidene-15-oxapentacyclo[15.3.1.0^{1,6}.0^{7,16}.0^{9,14}]henicosa-7(16),9,11,13-tetraene-8,21-dione
InChI key:IXTPTNHKAHBGCY-UOAWKXACSA-N

分子式:C38H48O6
分子量:600.796
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]-1-[#6][C@]23[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)c2oc4cc(-[#8])c(-[#8])cc4c(=O)c2[C@]3([#8])[#6]-[#6]-1=[#6]
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]-1-[#6][C@]23[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)c2oc4cc(-[#8])c(-[#8])cc4c(=O)c2[C@]3([#8])[#6]-[#6]-1=[#6]

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