Chem
J-GLOBAL ID:200907000371862382   Nikkaji number:J2.170.759G

3-Methyl-5-ethyl-2′-O,4′-O:3′-O,5′-O-bismethyleneriboflavin-5-ium

3-メチル-5-エチル-2′-O,4′-O:3′-O,5′-O-ビスメチレンリボフラビン-5-イウム
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: C22H27N3[N+]O6
Molecular formula furigana: C22-H27-N4-O6
Molecular weight: 443.479
InChI: InChI=1S/C22H27N4O6/c1-5-25-14-6-12(2)13(3)7-15(14)26(20-18(25)21(27)24(4)22(28)23-20)8-16-19-17(31-11-30-16)9-29-10-32-19/h6-7,16-17,19H,5,8-11H2,1-4H3/q+1/t16-,17+,19-/m0/s1
InChI key: CQUULQNPUMYPQV-SCTDSRPQSA-N
SMILES: CC[n+]1c2cc(C)c(C)cc2n(C[C@@H]2OCO[C@@H]3COCO[C@@H]23)c2nc(=O)n(C)c(=O)c12
Systematic name  (6):
  • 10-[[(4S,4aS,8aR)-テトラヒドロ-[1,3]ジオキシノ[5,4-d]-1,3-ジオキシン-4-イル]メチル]-3,7,8-トリメチル-5-エチル-2,4-ジオキソ-2,3,4,10-テトラヒドロベンゾ[g]プテリジン-5-イウム
  • 3,7,8-トリメチル-5-エチル-2,4-ジオキソ-10-[[(4S)-4,4aβ,8,8aα-テトラヒドロ[1,3]ジオキシノ[5,4-d][1,3]ジオキシン-4β-イル]メチル]-2,3,4,10-テトラヒドロベンゾ[g]プテリジン-5-イウム
  • 10-[[(4S,4aS,8aR)-テトラヒドロ[1,3]ジオキシノ[5,4-d]-1,3-ジオキシン-4-イル]メチル]-5-エチル-2,4-ジオキソ-3,7,8-トリメチル-2,3,4,10-テトラヒドロベンゾ[g]プテリジン-5-イウム
  • 3-メチル-5-エチル-2′-O,4′-O:3′-O,5′-O-ビスメチレンリボフラビン-5-イウム
  • 10-{[(4S,4aS,8aR)-ヘキサヒドロ-[1,3]ジオキシノ[5,4-d][1,3]ジオキシン-4-イル]メチル}-5-エチル-3,7,8-トリメチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-5-イウム
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Other name (4):
  • 10-[[(4S,4aS,8aR)-Tetrahydro-[1,3]dioxino[5,4-d]-1,3-dioxin-4-yl]methyl]-3,7,8-trimethyl-5-ethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-5-ium
  • 3,7,8-Trimethyl-5-ethyl-2,4-dioxo-10-[[(4S)-4,4aβ,8,8aα-tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4β-yl]methyl]-2,3,4,10-tetrahydrobenzo[g]pteridine-5-ium
  • 10-[[(4S,4aS,8aR)-Tetrahydro[1,3]dioxino[5,4-d]-1,3-dioxin-4-yl]methyl]-5-ethyl-2,4-dioxo-3,7,8-trimethyl-2,3,4,10-tetrahydrobenzo[g]pteridine-5-ium
  • 3-Methyl-5-ethyl-2′-O,4′-O:3′-O,5′-O-bismethyleneriboflavin-5-ium
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