Chem
J-GLOBAL ID：200907001405928333   Nikkaji number：J941.078C

Zexbrevin

ゼクスブレビン
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： C19H22O6
Molecular formula furigana： C19-H22-O6
Molecular weight： 346.379
InChI： InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3/t10-,13-,14-,16+,19-/m1/s1
InChI key： KYTKEOOPALLADL-VAQLCBBBSA-N
SMILES： C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C[C@@]2(C)OC1=CC2=O)OC(=O)C(=C)C
Systematic name  (3)：
  • メタクリル酸[(3aS,4R,6R,10R)-2,7-ジオキソ-3-メチレン-6,10-ジメチル-2,3,3aβ,4,5,6,7,10,11,11aα-デカヒドロ-6,9-エポキシシクロデカ[b]フラン]-4-イル
  • (2R,4R,8S,9R,11R)-2,11-ジメチル-7-メチリデン-6,12-ジオキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-1(13)-エン-9-イル 2-メチルプロパ-2-エノアート
  • (2R,4R,8S,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl 2-methylprop-2-enoate
Other name (3)：
  • ゼクスブレビン
  • Zexbrevin
  • Methacrylic acid [(3aS,4R,6R,10R)-2,7-dioxo-3-methylene-6,10-dimethyl-2,3,3aβ,4,5,6,7,10,11,11aα-decahydro-6,9-epoxycyclodeca[b]furan]-4-yl ester
CAS registry number： 28644-86-2
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