Chem
J-GLOBAL ID：200907091564107030   Nikkaji number：J55.546K

Molephantinin

モレファンチニン
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： C20H24O6
Molecular formula furigana： C20-H24-O6
Molecular weight： 360.406
InChI： InChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7+,11-6+,12-9-/t15-,16+,17-,18-/m0/s1
InChI key： VUURQISRHJCAJY-CXRMMEALSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1C/C(=C/C(=O)/C=C(/C)\[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (3)：
  • (E)-2-メチル-2-ブテン酸[(3aR,4S,6E,9Z,11S,11aS)-2,3,3a,4,5,8,11,11a-オクタヒドロ-11-ヒドロキシ-6,10-ジメチル-3-メチレン-2,8-ジオキソシクロデカ[b]フラン-4-イル]
  • (3aR,4S,11S,11aS)-11-ヒドロキシ-6,10-ジメチル-3-メチリデン-2,8-ジオキソ-2H,3H,3aH,4H,5H,8H,11H,11aH-シクロデカ[b]フラン-4-イル (2E)-2-メチルブタ-2-エノアート
  • (3aR,4S,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-2H,3H,3aH,4H,5H,8H,11H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • モレファンチニン
  • Molephantinin
  • (E)-2-Methyl-2-butenoic acid [(3aR,4S,6E,9Z,11S,11aS)-2,3,3a,4,5,8,11,11a-octahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca[b]furan-4-yl] ester
CAS registry number： 56221-98-8
KEGG COMPOUND： C09513
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