Zizaens?ure; Zizanoicacid
HIT102326216
sdf文件结构编辑类似物检索
HIT ID: HIT102326216
Cas No: 16203-25-1
分子式: C15H22O2
分子量: 234.339
常用名: Zizaens?ure; Zizanoicacid
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.095
IUPAC: (1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.0^{1,5}]undecane-2-carboxylic acid
IUPAC: (1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.0^{1,5}]undecane-2-carboxylic acid
SMILES: CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
SMILES: CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
InChI key: IJGMVUXEZUEDJR-RTWAVKEYSA-N
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SC
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Analyticon
SC
32893-4周 购物车
Mcule
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50204-5周 购物车
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