12-Chlorodehydroabietic acid
HIT214323974
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HIT ID: HIT214323974
Cas No: 65310-45-4
分子式: C20H27ClO2
分子量: 334.88
常用名: 12-Chlorodehydroabietic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
IUPAC: (1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
SMILES: [H][C@@]12CCc3cc(C(C)C)c(Cl)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O
SMILES: [H][C@@]12CCc3cc(C(C)C)c(Cl)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O
InChI key: LRHCLIUTYPHWLV-MISYRCLQSA-N
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