Chem
J-GLOBAL ID:200907073851457477   Nikkaji number:J1.910.228I

Lactucain B

ラクツカインB
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: C30H32O9
Molecular formula furigana: C30-H32-O9
Molecular weight: 536.577
InChI: InChI=1S/C30H32O9/c1-11-5-19(23-13(3)29(35)38-27(23)25-15(9-31)7-17(33)21(11)25)37-20-6-12(2)22-18(34)8-16(10-32)26(22)28-24(20)14(4)30(36)39-28/h7-8,14,19-20,23-28,31-32H,3,5-6,9-10H2,1-2,4H3/t14-,19-,20-,23+,24+,25-,26-,27-,28-/m0/s1
InChI key: AIGKJTXOWFMGLD-MGGPNGNKSA-N
SMILES: C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(=CC(=O)C1=C(C)C[C@@H]2O[C@H]1CC(=C2[C@@H]([C@H]3OC(=O)C(=C)[C@H]13)C(=CC2=O)CO)C)CO
Systematic name  (3):
  • (3S,3aR,3a′R,4S,4′S)-3,6,6′-トリメチル-9,9′-ビス(ヒドロキシメチル)-3′-メチレン-[4,4′-オキシビス(3,3a,4,5,9aβ,9bα-ヘキサヒドロアズレノ[4,5-b]フラン-2,7-ジオン)]
  • (3S,3aR,4S,9aS,9bR)-4-{[(3aR,4S,9aS,9bR)-9-(ヒドロキシメチル)-6-メチル-3-メチリデン-2,7-ジオキソ-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-4-イル]オキシ}-9-(ヒドロキシメチル)-3,6-ジメチル-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-2,7-ジオン
  • (3S,3aR,4S,9aS,9bR)-4-{[(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-9-(hydroxymethyl)-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
Other name (3):
  • (3S,3aR,3a′R,4S,4′S)-3,6,6′-Trimethyl-9,9′-bis(hydroxymethyl)-3′-methylene-[4,4′-oxybis(3,3a,4,5,9aβ,9bα-hexahydroazuleno[4,5-b]furan-2,7-dione)]
  • ラクツカインB
  • Lactucain B
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