Chem
J-GLOBAL ID：200907076317101119   Nikkaji number：J2.770.073J

Nobilin

ノビリン
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6+,13-10-/t15-,16-,17-,18+/m0/s1
InChI key： QFINJHBXXJQKPB-UNYVMELBSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1C/C(=C/C[C@H](O)/C(=C\[C@@H]2OC(=O)C(=C)[C@H]12)/C)/C
Systematic name  (3)：
  • (E)-2-メチル-2-ブテン酸(3aR,4S,6E,9S,10Z,11aS)-2,3,3a,4,5,8,9,11a-オクタヒドロ-9-ヒドロキシ-6,10-ジメチル-3-メチレン-2-オキソシクロデカ[b]フラン-4-イル
  • (3aR,4S,9S,11aS)-9-ヒドロキシ-6,10-ジメチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,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,9S,11aS)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • (E)-2-Methyl-2-butenoic acid (3aR,4S,6E,9S,10Z,11aS)-2,3,3a,4,5,8,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
  • Nobilin
  • ノビリン
CAS registry number： 31824-11-0
KEGG COMPOUND： C09518
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