Chem
J-GLOBAL ID：200907053658682209   Nikkaji number：J82.301E

Limonoic acid A-ring lactone

リモン酸A-環ラクトン
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： C26H32O9
Molecular formula furigana： C26-H32-O9
Molecular weight： 488.533
InChI： InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChI key： JQTDUZWQZNXSOU-MSGMIQHVSA-N
SMILES： CC1(C)O[C@H]2CC(=O)OC[C@]32[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@](C)([C@@H](O)c2ccoc2)[C@]21O[C@@H]2C(=O)O
Systematic name  (3)：
  • リモン酸3,19-ラクトン
  • (1'R,2R,2'R,3S,5'S,7'R,10'R,13'S)-5'-[(S)-(フラン-3-イル)(ヒドロキシ)メチル]-5',7',11',11'-テトラメチル-8',15'-ジオキソ-12',16'-ジオキサスピロ[オキシラン-2,6'-テトラシクロ[8.7.0.01,13.02,7]ヘプタデカン]-3-カルボン酸
  • (1'R,2R,2'R,3S,5'S,7'R,10'R,13'S)-5'-[(S)-(furan-3-yl)(hydroxy)methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.01,13.02,7]heptadecane]-3-carboxylic acid
Other name (4)：
  • リモン酸A-環ラクトン
  • Limonoic acid A-ring lactone
  • Limonoic acid 3,19-lactone
  • Limonoate A-ring-lactone
CAS registry number： 22149-49-1
KEGG COMPOUND： C16718
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