Chem
J-GLOBAL ID：200907055568048961   Nikkaji number：J19.507C

Multigilin

ムルチギリン
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/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14-17,22H,4H2,1-3,5H3/b9-6-/t10-,12-,14+,15+,16-,17-,20-/m0/s1
InChI key： UQFKZAAOUCMTRM-NMEMHIFPSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸[(3aS)-2,3,3a,4,4a,5,7aα,8,9,9aα-デカヒドロ-9β-ヒドロキシ-4aβ,8α-ジメチル-3-メチレン-2,5-ジオキソアズレノ[6,5-b]フラン-4α-イル]
  • (3aS,4S,4aR,7aS,8S,9R,9aS)-9-ヒドロキシ-4a,8-ジメチル-3-メチリデン-2,5-ジオキソ-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-アズレノ[6,5-b]フラン-4-イル (2Z)-2-メチルブタ-2-エノアート
  • (3aS,4S,4aR,7aS,8S,9R,9aS)-9-hydroxy-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • ムルチギリン
  • Multigilin
  • (Z)-2-Methyl-2-butenoic acid [(3aS)-2,3,3a,4,4a,5,7aα,8,9,9aα-decahydro-9β-hydroxy-4aβ,8α-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4α-yl] ester
CAS registry number： 64937-25-3
KEGG COMPOUND： C09514
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