Pimaric acid
HIT212665810
sdf文件结构编辑类似物检索
HIT ID: HIT212665810
Cas No: 127-27-5
分子式: C20H30O2
分子量: 302.458
常用名: Pimaric acid
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 6.29
IUPAC: (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
IUPAC: (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
SMILES: C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C |c:20|
SMILES: C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C |c:20|
InChI key: MHVJRKBZMUDEEV-APQLOABGSA-N
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