Chem
J-GLOBAL ID:200907002541046073
Nikkaji number:J1.192.744K
(1R)-1-[(6R)-1,2-Bis(ethoxycarbonyl)-3-(4-methylphenyl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-6-yl]-2-O,3-O,4-O-triacetyl-1-acetoxy-1-deoxy-D-erythro-tetritol
1,2-ジエチル (6R)-3-(4-メチルフェニル)-6-[(1R,2S,3R)-1,2,3,4-テトラキス(アセチルオキシ)ブチル]-1,2,3,6-テトラヒドロ-1,2,3,4-テトラジン-1,2-ジカルボキシラート
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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:
C27 H36 N4 O12
Molecular formula furigana:
C27-H36-N4-O12
Molecular weight:
608.601
InChI:
InChI=1S/C27H36N4O12/c1-8-38-26(36)29-22(14-28-30(31(29)27(37)39-9-2)21-12-10-16(3)11-13-21)24(42-19(6)34)25(43-20(7)35)23(41-18(5)33)15-40-17(4)32/h10-14,22-25H,8-9,15H2,1-7H3/t22-,23-,24-,25-/m1/s1
InChI key:
IPPUAOKKZRAHOB-ZGFBMJKBSA-N
SMILES:
CCOC(=O)N1[C@H](C=NN(N1C(=O)OCC)c1ccc(C)cc1)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C
Systematic name (3):
(1R)-1-[(6R)-1,2-ビス(エトキシカルボニル)-3-(4-メチルフェニル)-1,2,3,6-テトラヒドロ-1,2,3,4-テトラジン-6-イル]-2-O,3-O,4-O-トリアセチル-1-アセトキシ-1-デオキシ-D-erythro-テトリトール
1,2-ジエチル (6R)-3-(4-メチルフェニル)-6-[(1R,2S,3R)-1,2,3,4-テトラキス(アセチルオキシ)ブチル]-1,2,3,6-テトラヒドロ-1,2,3,4-テトラジン-1,2-ジカルボキシラート
1,2-diethyl (6R)-3-(4-methylphenyl)-6-[(1R,2S,3R)-1,2,3,4-tetrakis(acetyloxy)butyl]-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate
Other name (1):
(1R)-1-[(6R)-1,2-Bis(ethoxycarbonyl)-3-(4-methylphenyl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-6-yl]-2-O,3-O,4-O-triacetyl-1-acetoxy-1-deoxy-D-erythro-tetritol
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