Chem
J-GLOBAL ID:200907004559179723   Nikkaji number:J697.598D

Limonoate

リモン酸
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: C26H34O10
Molecular formula furigana: C26-H34-O10
Molecular weight: 506.548
InChI: InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChI key: WOJQWDNWUNSRTA-MSGMIQHVSA-N
SMILES: CC1(C)O[C@@H](CC(=O)O)[C@@]2(CO)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O)c2ccoc2)[C@]21O[C@@H]2C(=O)O
Systematic name  (3):
  • リモン酸
  • (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(カルボキシメチル)-7-[(S)-(フラン-3-イル)(ヒドロキシ)メチル]-9b-(ヒドロキシメチル)-3,3,5a,7-テトラメチル-5-オキソ-デカヒドロ-1H-スピロ[ナフト[1,2-c]フラン-6,2'-オキシラン]-3'-カルボン酸
  • (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(carboxymethyl)-7-[(S)-(furan-3-yl)(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxo-decahydro-1H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid
Other name (2):
  • Limonoic acid
  • Limonoate
KEGG COMPOUND: C01593
Thsaurus map:

Return to Previous Page