Chem
J-GLOBAL ID：200907076354377345   Nikkaji number：J16.071G

Fusicoccin

フシコクシン
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： C36H56O12
Molecular formula furigana： C36-H56-O12
Molecular weight： 680.832
InChI： InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChI key： KXTYBXCEQOANSX-HPVXDZOISA-N
SMILES： COC[C@H]1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(=O)C)[C@H]3O)C3=C(C[C@H](O)[C@]3(C)C=C12)[C@H](C)COC(=O)C
Systematic name  (3)：
  • [(1S)-3-[(S)-2-アセトキシ-1-メチルエチル]-1,2,4,5,6,6aβ,7,8,9,10a-デカヒドロ-1,5α-ジヒドロキシ-9α-メトキシメチル-6α,10aα-ジメチルジシクロペンタ[a,d]シクロオクテン-4β-イル]3-O-アセチル-6-O-(1,1-ジメチル-2-プロペニル)-α-D-グルコピラノシド
  • (2S)-2-[(3R,4S,8R,9R,10R,11S,14S)-8-{[(2S,3R,4S,5R,6R)-4-(アセチルオキシ)-3,5-ジヒドロキシ-6-{[(2-メチルブタ-3-エン-2-イル)オキシ]メチル}オキサン-2-イル]オキシ}-4,9-ジヒドロキシ-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-6-イル]プロピル アセタート
  • (2S)-2-[(3R,4S,8R,9R,10R,11S,14S)-8-{[(2S,3R,4S,5R,6R)-4-(acetyloxy)-3,5-dihydroxy-6-{[(2-methylbut-3-en-2-yl)oxy]methyl}oxan-2-yl]oxy}-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyltricyclo[9.3.0.03,7]tetradeca-1,6-dien-6-yl]propyl acetate
Other name (7)：
  • フシコッシン
  • Fusicoccin
  • [(1S)-3-[(S)-2-Acetoxy-1-methylethyl]-1,2,4,5,6,6aβ,7,8,9,10a-decahydro-1,5α-dihydroxy-9α-methoxymethyl-6α,10aα-dimethyldicyclopenta[a,d]cycloocten-4β-yl]3-O-acetyl-6-O-(1,1-dimethyl-2-propenyl)-α-D-glucopyranoside
  • フシコクシン
  • フシコッシンA
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CAS registry number： 20108-30-9
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