Chem
J-GLOBAL ID：200907031502820780   Nikkaji number：J1.517.191J

Sudachinoid B

スダキノイドB
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： C25H32O9
Molecular formula furigana： C25-H32-O9
Molecular weight： 476.522
InChI： InChI=1S/C25H32O9/c1-20(2)13-10-14(26)23(5)12(22(13,4)24(6,30)34-20)7-8-21(3)16(11-9-15(27)31-18(11)28)32-19(29)17-25(21,23)33-17/h9,12-13,15-17,27,30H,7-8,10H2,1-6H3/t12-,13+,15?,16+,17-,21+,22-,23+,24+,25-/m1/s1
InChI key： NABBIRQIEXBJDL-TUXRQYSISA-N
SMILES： CC1(C)O[C@](C)(O)[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=CC(O)OC1=O
Systematic name  (3)：
  • 1,23-ジヒドロキシ-2-デカルボキシ-21-オキソ-19-デオキシ-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)-13-ヒドロキシ-7-(5-ヒドロキシ-2-オキソ-2,5-ジヒドロフラン-3-イル)-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)-13-hydroxy-7-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-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)：
  • 1,23-Dihydroxy-2-decarboxy-21-oxo-19-deoxy-21,23-dihydrolimonoic acid 16,17-lactone
  • スダチノイドB
  • Sudachinoid B
  • スダキノイドB
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Thesaurus Map

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