Chem
J-GLOBAL ID:200907027283250860   Nikkaji number:J292.186C

Repandin A

レパンジン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: C25H32O10
Molecular formula furigana: C25-H32-O10
Molecular weight: 492.521
InChI: InChI=1S/C25H32O10/c1-7-15(11-26)24(30)33-19-16(25(31)32-6)10-8-9-13(4)18(27)20-17(14(5)23(29)34-20)21(19)35-22(28)12(2)3/h7,10,12,17-21,26-27H,4-5,8-9,11H2,1-3,6H3/b15-7-,16-10+/t17-,18-,19?,20-,21-/m0/s1
InChI key: XMUNLUYNEDVGGM-HTFHLAQYSA-N
SMILES: COC(=O)/C/1=C/CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C1OC(=O)/C(=C\C)/CO
Systematic name  (3):
  • (3aS,4S,5S,6E,11S,11aS)-5-[2-(ヒドロキシメチル)イソクロトノイルオキシ]-4-(2-メチルプロピオニルオキシ)-2,3,3aβ,4,5,8,9,10,11,11aα-デカヒドロ-11-ヒドロキシ-3,10-ビス(メチレン)-2-オキソシクロデカ[b]フラン-6-カルボン酸メチル
  • メチル (3aS,4S,5S,11S,11aS)-11-ヒドロキシ-5-{[(2Z)-2-(ヒドロキシメチル)ブタ-2-エノイル]オキシ}-3,10-ジメチリデン-4-[(2-メチルプロパノイル)オキシ]-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,10H,11H,11aH-シクロデカ[b]フラン-6-カルボキシラート
  • methyl (3aS,4S,5S,11S,11aS)-11-hydroxy-5-{[(2Z)-2-(hydroxymethyl)but-2-enoyl]oxy}-3,10-dimethylidene-4-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3aH,4H,5H,8H,9H,10H,11H,11aH-cyclodeca[b]furan-6-carboxylate
Other name (3):
  • Repandin A
  • レパンジンA
  • (3aS,4S,5S,6E,11S,11aS)-5-[2-(Hydroxymethyl)isocrotonoyloxy]-4-(2-methylpropionyloxy)-2,3,3aβ,4,5,8,9,10,11,11aα-decahydro-11-hydroxy-3,10-bis(methylene)-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
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