Chem
J-GLOBAL ID：200907042103641297   Nikkaji number：J630.800G

Xestospongin C

キセストスポンギンC
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： C28H50N2O2
Molecular formula furigana： C28-H50-N2-O2
Molecular weight： 446.720
InChI： InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1
InChI key： PQYOPBRFUUEHRC-MUJQFDPKSA-N
SMILES： C1C[C@H]2CCCCCC[C@H]3CCN4CCC[C@H](CCCCCC[C@H]5CCN(C1)[C@@H]2O5)[C@H]4O3
Systematic name  (3)：
  • (2S,2′S,9R,9′S,9aR,9a′R)-2′,9-ヘキサメチレン[2,9′-ヘキサメチレンビス(ヘキサヒドロ-2H,6H-ピリド[2,1-b][1,3]オキサジン)]
  • (1R,8S,10R,15S,22S,29R)-9,30-ジオキサ-11,25-ジアザペンタシクロ[20.6.2.28,11.010,15.025,29]ドトリアコンタン
  • (1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane
Other name (6)：
  • キセストスポンギンC
  • Xestospongin C
  • Xestospongine C
  • (2S,2′S,9R,9′S,9aR,9a′R)-2′,9-Hexamethylene[2,9′-hexamethylenebis(hexahydro-2H,6H-pyrido[2,1-b][1,3]oxazine)]
  • (-)-アラグスポンギンE
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CAS registry number： 88903-69-9
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