Chem
J-GLOBAL ID：200907020403999882   Nikkaji number：J19.013F

Incanin

インカニン
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： C17H22O5
Molecular formula furigana： C17-H22-O5
Molecular weight： 306.358
InChI： InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1
InChI key： BDTUWJXMQGOJIJ-AUPGVYSRSA-N
SMILES： C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]2(COC(=O)C)[C@H]1CCC2=O
Systematic name  (3)：
  • (3aS,6aβ,9bβ)-3,3a,4,5,6,6a,7,8,9a,9b-デカヒドロ-9aα-アセトキシメチル-6α-メチル-3-メチレンアズレノ[4,5-b]フラン-2,9-ジオン
  • [(3aS,6S,6aS,9aS,9bR)-6-メチル-3-メチリデン-2,9-ジオキソ-ドデカヒドロアズレノ[4,5-b]フラン-9a-イル]メチル アセタート
  • [(3aS,6S,6aS,9aS,9bR)-6-methyl-3-methylidene-2,9-dioxo-dodecahydroazuleno[4,5-b]furan-9a-yl]methyl acetate
Other name (5)：
  • インカニン
  • リグラチンB
  • Incanin
  • Ligulatin B
  • (3aS,6aβ,9bβ)-3,3a,4,5,6,6a,7,8,9a,9b-Decahydro-9aα-acetoxymethyl-6α-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
CAS registry number： 31299-06-6
KEGG COMPOUND： C09494
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