Chem
J-GLOBAL ID：200907011297504136   Nikkaji number：J1.715.996H

Agallochin F

アガロキンF
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/c1-12-8-18-9-13(12)4-5-15(18)19-6-7-20(22,23-11-19)17(2,3)16(19)14(21)10-18/h13-16,21-22H,1,4-11H2,2-3H3/t13-,14-,15-,16-,18-,19-,20-/m1/s1
InChI key： IZKLRFJACWWWBZ-WLRKVJHYSA-N
SMILES： CC1(C)[C@H]2[C@H](O)C[C@@]34C[C@@H](CC[C@H]3[C@@]32CC[C@@]1(O)OC3)C(=C)C4
Systematic name  (3)：
  • 3,20-エポキシカウラ-16-エン-3β,6β-ジオール
  • (1R,2R,5R,8S,10R,11S,13R)-12,12-ジメチル-6-メチリデン-14-オキサペンタシクロ[11.2.2.15,8.01,11.02,8]オクタデカン-10,13-ジオール
  • (1R,2R,5R,8S,10R,11S,13R)-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecane-10,13-diol
Other name (3)：
  • 3,20-Epoxykaura-16-ene-3β,6β-diol
  • アガロキンF
  • Agallochin F
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