Chem
J-GLOBAL ID：200907099401424080   Nikkaji number：J1.715.998D

Agallochin H

アガロキンH
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-16(2)12-5-7-18-10-17(3,14-15(18)23-14)6-4-13(18)19(12)8-9-20(16,21)22-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14?,15?,17+,18+,19+,20-/m0/s1
InChI key： GUFDSAGOSLFDBB-LGSDJMGWSA-N
SMILES： C[C@]12C[C@@]3(CC[C@H]4C(C)(C)[C@]5(O)CC[C@]4(CO5)[C@H]3CC1)C1OC21
Systematic name  (3)：
  • 3,20:15,16-ジエポキシベイエラン-3α-オール
  • (1S,2R,5R,9R,12R,14S)-5,13,13-トリメチル-7,15-ジオキサヘキサシクロ[12.2.2.15,9.01,12.02,9.06,8]ノナデカン-14-オール
  • (1S,2R,5R,9R,12R,14S)-5,13,13-trimethyl-7,15-dioxahexacyclo[12.2.2.15,9.01,12.02,9.06,8]nonadecan-14-ol
Other name (3)：
  • 3,20:15,16-Diepoxybeyerane-3α-ol
  • アガロキンH
  • Agallochin H
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