Chem
J-GLOBAL ID:200907063112334906   Nikkaji number:J9.856F

Limonin

リモニン
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: C26H30O8
Molecular formula furigana: C26-H30-O8
Molecular weight: 470.518
InChI: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChI key: KBDSLGBFQAGHBE-MSGMIQHVSA-N
SMILES: CC1(C)O[C@H]2CC(=O)OC[C@]32[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1
Systematic name  (5):
  • (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-8-(3-フリル)-2a,3,4a,8,8a,9,10,10a,14,14a-デカヒドロ-2,2,4a,8a-テトラメチル-13H-オキシレノ[d]ピラノ[4′,3′:3,3a]イソベンゾフロ[5,4-f][2]ベンゾピラン-4,6,13(2H,5aH)-トリオン
  • (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-2,2,4a,8a-テトラメチル-8-(3-フラニル)-2a,3,4a,8,8a,9,10,10a,14,14a-デカヒドロ-13H-オキシレノ[d]ピラノ[4′,3′:3,3a]イソベンゾフロ[5,4-f][2]ベンゾピラン-4,6,13(2H,5aH)-トリオン
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(フラン-3-イル)-9,9,13,20-テトラメチル-4,8,15,18-テトラオキサヘキサシクロ[11.9.0.02,7.02,10.014,16.014,20]ドコサン-5,12,17-トリオン
  • (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
  • (2aS,6aR,6bR,8aS,9S,12S,12aR,12bR,14aR)-1,2a,3,6b,7,8a,9,12a,12b,14a-デカヒドロ-9-(3-フラニル)-1,1,8a,12b-テトラメチル-12,12a-エポキシ-4H,8H-ピラノ[4′,3′:3,3a]イソベンゾフロ[5,4-f][2]ベンゾピラン-4,11,13(12H,14H)-トリオン
Other name (14):
  • リモニン
  • リモン酸ジ-δ-ラクトン
  • リモン酸3,19:16,17-ジラクトン
  • Limonin
  • Limonoic acid di-δ-lactone
Show all
CAS registry number: 1180-71-8
KEGG COMPOUND: C03514
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