Chem
J-GLOBAL ID：201807017792700233   Nikkaji number：J3.729.171D

β-Hibitakanine

β-ヒビタカニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H26O4
Molecular formula furigana： C19-H26-O4
Molecular weight： 318.413
InChI： InChI=1S/C19H26O4/c1-18(2)13-6-7-19(18,3)16(10-13)23-17(20)12-8-14(21-4)11-15(9-12)22-5/h8-9,11,13,16H,6-7,10H2,1-5H3/t13-,16+,19+/m0/s1
InChI key： GXJRQCMXVCLYPV-URKNILKWSA-N
SMILES： c1(C(=O)O[C@H]2[C@@]3(C([C@H](C2)CC3)(C)C)C)cc(cc(c1)OC)OC
Systematic name  (3)：
  • (1S,2R,4S)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル3,5-ジメトキシベンゾアート
  • (1S,2R,4S)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル 3,5-ジメトキシベンゾアート
  • (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
Other name (2)：
  • β-ヒビタカニン
  • β-Hibitakanine
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