HIT ID: HIT213887100
Cas No: 74690-89-4
分子式: C25H36O5
分子量: 416.558
常用名: Vibsanin C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-en-1-yl)-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl 3-methylbut-2-enoate
IUPAC: (1E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-en-1-yl)-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl 3-methylbut-2-enoate
SMILES: [#6]-[#6](=O)-[#6]-[#6@H]-1-[#6@H](\[#6]=[#6]\[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6]=[#6](-[#6]-[#8])-[#6]-1=O |t:24|
SMILES: [#6]-[#6](=O)-[#6]-[#6@H]-1-[#6@H](\[#6]=[#6]\[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])[C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6]=[#6](-[#6]-[#8])-[#6]-1=O |t:24|
InChI key: FUJYXGPHSQJMJL-QQFOBNRMSA-N