HHQ16
HIT218848168
sdf文件结构编辑类似物检索
HIT ID: HIT218848168
Cas No: 2620471-66-9
分子式: C30H48F2O4
分子量: 510.707
常用名: HHQ16
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,3R,8R,9S,11S,12S,14S,15R,16R)-6,6-difluoro-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-9,14-diol
IUPAC: (1S,3R,8R,9S,11S,12S,14S,15R,16R)-6,6-difluoro-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-9,14-diol
SMILES: [H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CCC(F)(F)C4(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O
SMILES: [H][C@@]1([C@@H](O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CCC(F)(F)C4(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O
InChI key: KUQPXALXGHFWOC-MDDMNSTMSA-N
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