Chem
J-GLOBAL ID：200907014518331591   Nikkaji number：J999.022D

Roquefortine D

ロケホルチンD
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： C22H25N5O2
Molecular formula furigana： C22-H25-N5-O2
Molecular weight： 391.475
InChI： InChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28)
InChI key： IQVNREJWRXOHEO-UHFFFAOYSA-N
SMILES： CC(C)(C=C)C12CC3N(C1Nc1ccccc21)C(=O)C(Cc1c[nH]cn1)NC3=O
Systematic name  (3)：
  • 10b-(1,1-ジメチル-2-プロペニル)-3-(1H-イミダゾール-4-イルメチル)-6,10b,11,11a-テトラヒドロ-2H-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール-1,4(3H,5aH)-ジオン
  • 4-[(1H-イミダゾール-4-イル)メチル]-9-(2-メチルブタ-3-エン-2-イル)-2,5,16-トリアザテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-10,12,14-トリエン-3,6-ジオン
  • 4-[(1H-imidazol-4-yl)methyl]-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Other name (3)：
  • 10b-(1,1-Dimethyl-2-propenyl)-3-(1H-imidazole-4-ylmethyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
  • ロケホルチンD
  • Roquefortine D
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