Chem
J-GLOBAL ID：200907047476602064   Nikkaji number：J835.481B

Kihadanin A

キハダニン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： C26H30O9
Molecular formula furigana： C26-H30-O9
Molecular weight： 486.517
InChI： InChI=1S/C26H30O9/c1-22(2)14-11-15(27)25(5)13(23(14,3)8-7-16(28)34-22)6-9-24(4)18(12-10-17(29)32-20(12)30)33-21(31)19-26(24,25)35-19/h7-8,10,13-14,18-20,30H,6,9,11H2,1-5H3/t13-,14+,18+,19-,20?,23-,24+,25+,26-/m1/s1
InChI key： DZWMSKKYNYZQTC-AJLFSXDCSA-N
SMILES： C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@@]31O[C@@H]3C(=O)O[C@H]2C1=CC(=O)OC1O
Systematic name  (4)：
  • 21,23-ジヒドロ-21-ヒドロキシ-23-オキソオバクン酸ε-ラクトン
  • 21-ヒドロキシ-23-オキソ-21,23-ジヒドロオバクン酸ε-ラクトン
  • (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-ヒドロキシ-5-オキソ-2,5-ジヒドロフラン-3-イル)-1,8,12,17,17-ペンタメチル-3,6,16-トリオキサペンタシクロ[9.9.0.02,4.02,8.012,18]イコサ-13-エン-5,15,20-トリオン
  • (1R,2R,4S,7R,8S,11R,12R,18R)-7-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
Other name (7)：
  • キハダニンA
  • Kihadanin A
  • 21,23-Dihydro-21-hydroxy-23-oxoobacunoic acid ε-lactone
  • 21-Hydroxy-23-oxo-21,23-dihydroobacunoic acid ε-lactone
  • スダチノイドC
Show all
CAS registry number： 125276-62-2
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