Chem
J-GLOBAL ID：200907075108944153   Nikkaji number：J31.896E

Paxilline

パキシリン
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： C27H33NO4
Molecular formula furigana： C27-H33-N-O4
Molecular weight： 435.564
InChI： InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
InChI key： ACNHBCIZLNNLRS-UBGQALKQSA-N
SMILES： CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c4ccccc54)CC[C@@]3(O)C2=CC1=O
Systematic name  (3)：
  • (2R)-5,6,6aα,7,12,12b,12c,13,14,14aβ-デカヒドロ-4bβ-ヒドロキシ-2-(1-ヒドロキシ-1-メチルエチル)-12bβ,12cα-ジメチル-2H-1-ベンゾピラノ[5′,6′:6,7]インデノ[1,2-b]インドール-3(4bH)-オン
  • (1S,2R,5S,7R,11S,14S)-11-ヒドロキシ-7-(2-ヒドロキシプロパン-2-イル)-1,2-ジメチル-6-オキサ-23-アザヘキサシクロ[12.10.0.02,11.05,10.016,24.017,22]テトラコサ-9,16(24),17,19,21-ペンタエン-8-オン
  • (1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Other name (3)：
  • パキシリン
  • Paxilline
  • (2R)-5,6,6aα,7,12,12b,12c,13,14,14aβ-Decahydro-4bβ-hydroxy-2-(1-hydroxy-1-methylethyl)-12bβ,12cα-dimethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one
CAS registry number： 57186-25-1
KEGG COMPOUND： C13782
Application (1)：
toxicity
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