Chem
J-GLOBAL ID：200907066382367767   Nikkaji number：J126.741H

Zapoterin

ザポテリン
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： C26H30O8
Molecular formula furigana： C26-H30-O8
Molecular weight： 470.518
InChI： InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15+,18-,19+,20-,23+,24+,25-,26-/m1/s1
InChI key： OZGKITZRRFNYRV-XNBUOYGNSA-N
SMILES： C[C@@]12C[C@@H](O)[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1
Systematic name  (3)：
  • 11α-ヒドロキシオウバク酸3,4-ラクトン
  • (1R,2R,4S,7S,8S,10R,11R,12R,18R)-7-(フラン-3-イル)-10-ヒドロキシ-1,8,12,17,17-ペンタメチル-3,6,16-トリオキサペンタシクロ[9.9.0.02,4.02,8.012,18]イコサ-13-エン-5,15,20-トリオン
  • (1R,2R,4S,7S,8S,10R,11R,12R,18R)-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Other name (3)：
  • ザポテリン
  • Zapoterin
  • 11α-Hydroxyobacunoic acid 3,4-lactone
CAS registry number： 23885-43-0
KEGG COMPOUND： C08788
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