4-Deacetylneosolaniol
HIT212524299
sdf文件结构编辑类似物检索
HIT ID: HIT212524299
Cas No: 74833-39-9
分子式: C17H24O7
分子量: 340.372
常用名: 4-Deacetylneosolaniol
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: -1.295
IUPAC: [(1'S,2'R,4'S,7'R,9'R,10'R,11'S)-4',10',11'-trihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
IUPAC: [(1'S,2'R,4'S,7'R,9'R,10'R,11'S)-4',10',11'-trihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)C21CO1 |t:5,TLB:24:23:11.3.2:21.19,THB:25:23:11.3.2:21.19|
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)C21CO1 |t:5,TLB:24:23:11.3.2:21.19,THB:25:23:11.3.2:21.19|
InChI key: FCLYQYOJLQDQNA-UETZSBHESA-N
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