Hyperforin acetate
HIT219229029
sdf文件结构编辑类似物检索
HIT ID: HIT219229029
Cas No: 68324-06-1
分子式: C37H54O5
分子量: 578.834
常用名: Hyperforin acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,5R,7S,8R)-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl acetate
IUPAC: (1S,5R,7S,8R)-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-1-(2-methylpropanoyl)-4,9-dioxobicyclo[3.3.1]non-2-en-2-yl acetate
SMILES: CC(C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2OC(C)=O
SMILES: CC(C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2OC(C)=O
InChI key: LVZZATUFOHEBKS-CMRABKMFSA-N
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