Chem
J-GLOBAL ID：200907061407121871   Nikkaji number：J969.024G

Fusicoccin deacetyl aglycone

フシコッシンデアセチルアグリコン
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： C21H34O5
Molecular formula furigana： C21-H34-O5
Molecular weight： 366.498
InChI： InChI=1S/C21H34O5/c1-11(9-22)15-7-17(23)21(3)8-16-13(10-26-4)5-6-14(16)12(2)19(24)20(25)18(15)21/h8,11-14,17,19-20,22-25H,5-7,9-10H2,1-4H3/b16-8-/t11-,12-,13-,14+,17+,19-,20-,21+/m1/s1
InChI key： VBKOZTIQKKTWMK-XYMCMIIBSA-N
SMILES： COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O)C3=C(C[C@H](O)[C@]3(C)C=C12)[C@H](C)CO
Systematic name  (3)：
  • (1S)-3-[(S)-1-メチル-2-ヒドロキシエチル]-6α,10aα-ジメチル-9α-メトキシメチル-1,2,4,5,6,6aβ,7,8,9,10a-デカヒドロジシクロペンタ[a,d]シクロオクテン-1β,4β,5α-トリオール
  • (1E,3R,4S,8R,9R,10R,11S,14S)-6-[(2S)-1-ヒドロキシプロパン-2-イル]-14-(メトキシメチル)-3,10-ジメチルトリシクロ[9.3.0.03,7]テトラデカ-1,6-ジエン-4,8,9-トリオール
  • (1E,3R,4S,8R,9R,10R,11S,14S)-6-[(2S)-1-hydroxypropan-2-yl]-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.03,7]tetradeca-1,6-diene-4,8,9-triol
Other name (3)：
  • (1S)-3-[(S)-1-Methyl-2-hydroxyethyl]-6α,10aα-dimethyl-9α-methoxymethyl-1,2,4,5,6,6aβ,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-1β,4β,5α-triol
  • フシコッシンデアセチルアグリコン
  • Fusicoccin deacetyl aglycone
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