Chem
J-GLOBAL ID：200907056136220328   Nikkaji number：J1.870.044A

3,6-Diacetoxy-5′-[[4-[(2-amino-9H-purine-6-yloxy)methyl]benzyl]carbamoyl]spiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-3′-one

3,6-ジアセトキシ-5′-[[4-[(2-アミノ-9H-プリン-6-イルオキシ)メチル]ベンジル]カルバモイル]スピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン
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： C38H28N6O9
Molecular formula furigana： C38-H28-N6-O9
Molecular weight： 712.675
InChI： InChI=1S/C38H28N6O9/c1-19(45)50-24-8-11-28-30(14-24)52-31-15-25(51-20(2)46)9-12-29(31)38(28)27-10-7-23(13-26(27)36(48)53-38)34(47)40-16-21-3-5-22(6-4-21)17-49-35-32-33(42-18-41-32)43-37(39)44-35/h3-15,18H,16-17H2,1-2H3,(H,40,47)(H3,39,41,42,43,44)
InChI key： YTBXZDDTAXNJKR-UHFFFAOYSA-N
SMILES： CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C32OC(=O)c2cc(ccc32)C(=O)NCc2ccc(COc3nc(N)nc4[nH]cnc34)cc2)c1
Systematic name  (3)：
  • 3,6-ジアセトキシ-5′-[[4-[(2-アミノ-9H-プリン-6-イルオキシ)メチル]ベンジル]カルバモイル]スピロ[9H-キサンテン-9,1′(3′H)-イソベンゾフラン]-3′-オン
  • 6'-(アセチルオキシ)-5-{[(4-{[(2-アミノ-9H-プリン-6-イル)オキシ]メチル}フェニル)メチル]カルバモイル}-3-オキソ-3H-スピロ[2-ベンゾフラン-1,9'-キサンテン]-3'-イル アセタート
  • 6'-(acetyloxy)-5-{[(4-{[(2-amino-9H-purin-6-yl)oxy]methyl}phenyl)methyl]carbamoyl}-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl acetate
Other name (1)：
  • 3,6-Diacetoxy-5′-[[4-[(2-amino-9H-purine-6-yloxy)methyl]benzyl]carbamoyl]spiro[9H-xanthene-9,1′(3′H)-isobenzofuran]-3′-one
Thsaurus map：
Thesaurus Map

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