TEI-9647
HIT212673400
sdf文件结构编辑类似物检索
HIT ID: HIT212673400
Cas No: 173388-20-0
分子式: C27H38O4
分子量: 426.597
常用名: TEI-9647
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 4.1769886
IUPAC: (5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
IUPAC: (5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
SMILES: [H][C@@]12CC[C@H]([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES: [H][C@@]12CC[C@H]([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
InChI key: SAODSJHDCZTVAT-CZADFQNYSA-N
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