Polyandric acid A
HIT219251749
sdf文件结构编辑类似物检索
HIT ID: HIT219251749
Cas No: 1282509-78-7
分子式: C27H32O6
分子量: 452.547
常用名: Polyandric acid A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R,4aR,5R,6R,8aR)-6-[(benzoyloxy)methyl]-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
IUPAC: (3R,4aR,5R,6R,8aR)-6-[(benzoyloxy)methyl]-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
SMILES: [H][C@]12C[C@@H](O)C=C(C(O)=O)[C@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@]2(C)CCc1ccoc1
SMILES: [H][C@]12C[C@@H](O)C=C(C(O)=O)[C@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@]2(C)CCc1ccoc1
InChI key: KRLNRFUNUIQBKJ-SNSAYHBYSA-N
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