Chem
J-GLOBAL ID：200907057644205128   Nikkaji number：J1.349.414B

Xestosin A

キセストシン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： C28H46N2O2
Molecular formula furigana： C28-H46-N2-O2
Molecular weight： 442.688
InChI： InChI=1S/C28H46N2O2/c1-19-17-29-15-7-11-21-9-4-6-14-24-26-22(10-3-5-13-23(25(21)29)27(19)31)12-8-16-30(26)18-20(2)28(24)32/h19-26H,3-18H2,1-2H3/t19-,20-,21-,22+,23+,24+,25?,26?/m1/s1
InChI key： YKNIULAEVHRRHX-KDYHQXGJSA-N
SMILES： C[C@@H]1CN2CCC[C@H]3CCCC[C@H]4C5[C@H](CCCN5C[C@@H](C)C4=O)CCCC[C@@H](C23)C1=O
Systematic name  (3)：
  • (1S,1′S,3R,3′R,9R,9′S)-1′,9-テトラメチレン[1,9′-テトラメチレンビス(オクタヒドロ-3-メチル-1H-キノリジン-2-オン)]
  • (1R,6S,8R,14S,19S,21R)-8,21-ジメチル-10,23-ジアザペンタシクロ[17.7.1.16,10.023,27.014,28]オクタコサン-7,20-ジオン
  • (1R,6S,8R,14S,19S,21R)-8,21-dimethyl-10,23-diazapentacyclo[17.7.1.16,10.023,27.014,28]octacosane-7,20-dione
Other name (3)：
  • (1S,1′S,3R,3′R,9R,9′S)-1′,9-Tetramethylene[1,9′-tetramethylenebis(octahydro-3-methyl-1H-quinolizine-2-one)]
  • キセストシンA
  • Xestosin A
Thsaurus map：
Thesaurus Map

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