Chem
J-GLOBAL ID：200907048916295122   Nikkaji number：J18.438A

Peucenidin

ポイセニジン
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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI： InChI=1S/C21H22O7/c1-11(2)10-16(24)28-21(4,5)20-19(25-12(3)22)17-14(26-20)8-6-13-7-9-15(23)27-18(13)17/h6-10,19-20H,1-5H3/t19-,20+/m1/s1
InChI key： YTLKDGZSNPIHNO-UXHICEINSA-N
SMILES： CC(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C=C(C)C
Systematic name  (3)：
  • 3-メチル-2-ブテン酸[1-[(8S)-9α-アセトキシ-8,9-ジヒドロ-2-オキソ-2H-フロ[2,3-h]-1-ベンゾピラン-8-イル]-1-メチルエチル]
  • 2-[(8S,9R)-9-(アセチルオキシ)-2-オキソ-2H,8H,9H-フロ[2,3-h]クロメン-8-イル]プロパン-2-イル 3-メチルブタ-2-エノアート
  • 2-[(8S,9R)-9-(acetyloxy)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl 3-methylbut-2-enoate
Other name (3)：
  • ポイセニジン
  • Peucenidin
  • 3-Methyl-2-butenoic acid [1-[(8S)-9α-acetoxy-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl] ester
CAS registry number： 33044-93-8
KEGG COMPOUND： C09284
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