Denudadione C
HIT214315827
sdf文件结构编辑类似物检索
HIT ID: HIT214315827
Cas No: 61240-34-4
分子式: C20H20O5
分子量: 340.375
常用名: Denudadione C
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,5S,6S,7S)-7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
IUPAC: (1S,5S,6S,7S)-7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione
SMILES: COC1=C[C@]2(CC=C)[C@@H](C)[C@@H]([C@@H](C2=O)C1=O)c1ccc2OCOc2c1 |t:2,TLB:9:8:12:14.2.3,THB:16:10:12:14.2.3|
SMILES: COC1=C[C@]2(CC=C)[C@@H](C)[C@@H]([C@@H](C2=O)C1=O)c1ccc2OCOc2c1 |t:2,TLB:9:8:12:14.2.3,THB:16:10:12:14.2.3|
InChI key: YCTWRMSXONXESR-KUVYRUGBSA-N
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