Chem
J-GLOBAL ID：200907051632162743   Nikkaji number：J546.813B

Lyngbyatoxin B

リングビアトキシンB
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(6,12-11-22(32)16(2)3)20-9-10-21-23-18(14-28-24(20)23)13-19(15-31)29-26(33)25(17(4)5)30(21)7/h8-10,14,17,19,22,25,28,31-32H,1-2,11-13,15H2,3-7H3,(H,29,33)
InChI key： RLQWNZUFDRUTMZ-UHFFFAOYSA-N
SMILES： CC(C)C1N(C)c2ccc(c3[nH]cc(CC(CO)NC1=O)c23)C(C)(CCC(O)C(=C)C)C=C
Systematic name  (3)：
  • 9-(1-エテニル-4-ヒドロキシ-1,5-ジメチル-5-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
  • 5-(6-ヒドロキシ-3,7-ジメチルオクタ-1,7-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
  • 5-(6-hydroxy-3,7-dimethylocta-1,7-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B
  • Lyngbyatoxin B
  • 9-(1-Ethenyl-4-hydroxy-1,5-dimethyl-5-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： 133084-52-3
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