Chem
J-GLOBAL ID：200907006874908086   Nikkaji number：J37.085A

Obacunone

オバクノン
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： C26H30O7
Molecular formula furigana： C26-H30-O7
Molecular weight： 454.519
InChI： InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChI key： MAYJEFRPIKEYBL-OASIGRBWSA-N
SMILES： C[C@@]12CC[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)：
  • オバクン酸ε-ラクトン
  • (1R,2R,4S,7S,8S,11R,12R,18R)-7-(フラン-3-イル)-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,11R,12R,18R)-7-(furan-3-yl)-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 (8)：
  • オバクノン
  • Obacunone
  • Obacunoic acid ε-lactone
  • Obakunone
  • トリコッシンS3
Show all
CAS registry number： 751-03-1
KEGG COMPOUND： C08775
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