Chem
J-GLOBAL ID：200907080623793366   Nikkaji number：J1.040.808C

Allo-PTX-B

APTX-323B
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： C19H33NO3
Molecular formula furigana： C19-H33-N-O3
Molecular weight： 323.477
InChI： InChI=1S/C19H33NO3/c1-5-16(21)14(3)9-8-13(2)11-15-12-20-10-6-7-17(20)19(4,23)18(15)22/h9,11,13,16-18,21-23H,5-8,10,12H2,1-4H3/b14-9+,15-11-/t13-,16+,17+,18-,19-/m1/s1
InChI key： DQSBNMJLDZIARX-JLXPTTEPSA-N
SMILES： [C@H]1(/C(=C\[C@@H](C/C=C(/[C@H](CC)O)\C)C)/CN2CCC[C@H]2[C@]1(O)C)O
Systematic name  (3)：
  • (6Z,7R,8R,8aS)-オクタヒドロ-6-[(2R,4E,6S)-6-ヒドロキシ-2,5-ジメチル-4-オクテン-1-イリデン]-8-メチル-7,8-インドリジンジオール
  • (6Z,7R,8R,8aS)-6-[(2R,4E,6S)-6-ヒドロキシ-2,5-ジメチルオクタ-4-エン-1-イリデン]-8-メチル-オクタヒドロインドリジン-7,8-ジオール
  • (6Z,7R,8R,8aS)-6-[(2R,4E,6S)-6-hydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyl-octahydroindolizine-7,8-diol
Other name (6)：
  • アロプミリオトキシン323B
  • Allopumiliotoxin 323B
  • Allo-PTX-B
  • アロプミリトキシンB
  • Allopumiliotoxin B
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