Chem
J-GLOBAL ID：200907040909929158   Nikkaji number：J546.814K

Lyngbyatoxin C

リングビアトキシン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： C27H39N3O3
Molecular formula furigana： C27-H39-N3-O3
Molecular weight： 453.627
InChI： InChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/t19-,24-,27-/m0/s1
InChI key： VMLLPMJDAXPWAA-SZJUTTIESA-N
SMILES： CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)[C@](C)(CC=CC(C)(C)O)C=C
Systematic name  (3)：
  • (2S,5S)-9-[(R)-1-エテニル-5-ヒドロキシ-1,5-ジメチル-3-ヘキセニル]-1,2,4,5,6,8-ヘキサヒドロ-5-(ヒドロキシメチル)-1-メチル-2-(1-メチルエチル)-3H-ピロロ[4,3,2-gh]-1,4-ベンゾジアゾニン-3-オン
  • (10S,13S)-5-[(3R)-7-ヒドロキシ-3,7-ジメチルオクタ-1,5-ジエン-3-イル]-13-(ヒドロキシメチル)-9-メチル-10-(プロパン-2-イル)-3,9,12-トリアザトリシクロ[6.6.1.04,15]ペンタデカ-1,4,6,8(15)-テトラエン-11-オン
  • (10S,13S)-5-[(3R)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Other name (3)：
  • リングビアトキシンC
  • Lyngbyatoxin C
  • (2S,5S)-9-[(R)-1-Ethenyl-5-hydroxy-1,5-dimethyl-3-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
CAS registry number： 133084-53-4
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