Chem
J-GLOBAL ID：200907052013552517   Nikkaji number：J700.549K

Subglutinol A

スブグルチノールA
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： C27H38O4
Molecular formula furigana： C27-H38-O4
Molecular weight： 426.597
InChI： InChI=1S/C27H38O4/c1-15(2)12-19-14-27(7)22-9-8-16(3)21(26(22,6)11-10-23(27)31-19)13-20-24(28)17(4)18(5)30-25(20)29/h12,19,21-23,28H,3,8-11,13-14H2,1-2,4-7H3/t19-,21-,22-,23+,26-,27+/m1/s1
InChI key： SXNPXUJAUIINIU-JTLRLOPKSA-N
SMILES： CC(=C[C@@H]1C[C@]2(C)[C@H](CC[C@]3(C)[C@H](Cc4c(O)c(C)c(C)oc4=O)C(=C)CC[C@@H]23)O1)C
Systematic name  (4)：
  • 3-[[(2S,3aα,9aα)-2β-(2-メチル-1-プロペニル)-5aβ,9bβ-ジメチル-7-メチレンドデカヒドロナフト[2,1-b]フラン]-6α-イルメチル]-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-2-オン
  • 3-[[(2S,3aS,5aR,6R,9aR,9bS)-2-(2-メチル-1-プロペニル)-5a,9b-ジメチル-7-メチレンドデカヒドロナフト[2,1-b]フラン]-6-イルメチル]-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-2-オン
  • 3-{[(2S,3aS,5aR,6R,9aR,9bS)-5a,9b-ジメチル-7-メチリデン-2-(2-メチルプロパ-1-エン-1-イル)-ドデカヒドロナフト[2,1-b]フラン-6-イル]メチル}-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-2-オン
  • 3-{[(2S,3aS,5aR,6R,9aR,9bS)-5a,9b-dimethyl-7-methylidene-2-(2-methylprop-1-en-1-yl)-dodecahydronaphtho[2,1-b]furan-6-yl]methyl}-4-hydroxy-5,6-dimethyl-2H-pyran-2-one
Other name (5)：
  • スブグルチノールA
  • Subglutinol A
  • 3-[[(2S,3aα,9aα)-2β-(2-Methyl-1-propenyl)-5aβ,9bβ-dimethyl-7-methylenedodecahydronaphtho[2,1-b]furan]-6α-ylmethyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one
  • (-)-サブグルチノールA
  • 3-[[(2S,3aS,5aR,6R,9aR,9bS)-2-(2-Methyl-1-propenyl)-5a,9b-dimethyl-7-methylenedodecahydronaphtho[2,1-b]furan]-6-ylmethyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one
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