Chem
J-GLOBAL ID：200907038335103723   Nikkaji number：J86.123E

O-Methylsterigmatocystin

O-メチルステリグマトシスチン
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： C19H14O6
Molecular formula furigana： C19-H14-O6
Molecular weight： 338.315
InChI： InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3/t9-,19+/m0/s1
InChI key： JKUJKKGMOZDDJV-ZRNGKTOUSA-N
SMILES： COc1cccc2oc3c4[C@@H]5C=CO[C@@H]5Oc4cc(OC)c3c(=O)c12
Systematic name  (4)：
  • (3aR)-3aβ,12cβ-ジヒドロ-6,8-ジメトキシ-7H-フロ[3′,2′:4,5]フロ[2,3-c]キサンテン-7-オン
  • (3aR,12cS)-3a,12c-ジヒドロ-6,8-ジメトキシ-7H-フロ[3′,2′:4,5]フロ[2,3-c]キサンテン-7-オン
  • (3S,7R)-11,15-ジメトキシ-6,8,20-トリオキサペンタシクロ[10.8.0.02,9.03,7.014,19]イコサ-1,4,9,11,14,16,18-ヘプタエン-13-オン
  • (3S,7R)-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one
Other name (4)：
  • O-メチルステリグマトシスチン
  • O-Methylsterigmatocystin
  • (3aR,12cS)-3a,12c-Dihydro-6,8-dimethoxy-7H-furo[3′,2′:4,5]furo[2,3-c]xanthen-7-one
  • O-Methylsterigmatocystine
CAS registry number： 17878-69-2
Regulation number (1)：
  • LV1742000
KEGG COMPOUND： C03686
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