Chem
J-GLOBAL ID：200907095697537903   Nikkaji number：J1.517.190A

Sudachinoid A

スダキノイド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： C26H34O9
Molecular formula furigana： C26-H34-O9
Molecular weight： 490.549
InChI： InChI=1S/C26H34O9/c1-21(2)14-11-15(27)24(5)13(23(14,4)25(6,31-7)35-21)8-9-22(3)17(12-10-16(28)32-19(12)29)33-20(30)18-26(22,24)34-18/h10,13-14,16-18,28H,8-9,11H2,1-7H3/t13-,14+,16?,17+,18-,22+,23-,24+,25+,26-/m1/s1
InChI key： ZVOFIGKRVQYENS-XRAPKWHDSA-N
SMILES： CO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(O)OC3=O)[C@@]12C
Systematic name  (3)：
  • 1-メトキシ-2-デカルボキシ-21-オキソ-19-デオキシ-23-ヒドロキシ-21,23-ジヒドロリモン酸16,17-ラクトン
  • (1R,2R,4S,7R,8S,11R,12R,13S,16R)-7-(5-ヒドロキシ-2-オキソ-2,5-ジヒドロフラン-3-イル)-13-メトキシ-1,8,12,13,15,15-ヘキサメチル-3,6,14-トリオキサペンタシクロ[9.7.0.02,4.02,8.012,16]オクタデカン-5,18-ジオン
  • (1R,2R,4S,7R,8S,11R,12R,13S,16R)-7-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-13-methoxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione
Other name (4)：
  • 1-Methoxy-2-decarboxy-21-oxo-19-deoxy-23-hydroxy-21,23-dihydrolimonoic acid 16,17-lactone
  • スダチノイドA
  • Sudachinoid A
  • スダキノイドA
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