Chem
J-GLOBAL ID:201807005188417614   Nikkaji number:J3.729.169B

Tschimganine

チムガニン
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: C18H24O4
Molecular formula furigana: C18-H24-O4
Molecular weight: 304.386
InChI: InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m0/s1
InChI key: KTOAGBIQQPGNIR-WBHUJUFNSA-N
SMILES: c1(C(=O)O[C@H]2[C@@]3(C([C@H](C2)CC3)(C)C)C)cc(c(cc1)O)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-メトキシ-4-ヒドロキシベンゾアート
  • (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 4-ヒドロキシ-3-メトキシベンゾアート
  • (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate
Other name (2):
  • チムガニン
  • Tschimganine
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