Chem
J-GLOBAL ID:200907046408841666
Nikkaji number:J1.924.970K
3-[2-(4-Methoxytritylamino)-6-(benzyloxy)-9-[3-O,5-O-bis(tert-butyldimethylsilyl)-2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine-8-ylamino]-7H-benzo[de]anthracene-7-one
3-[2-(4-メトキシトリチルアミノ)-6-(ベンジルオキシ)-9-[3-O,5-O-ビス(tert-ブチルジメチルシリル)-2-デオキシ-β-D-erythro-ペントフラノシル]-9H-プリン-8-イルアミノ]-7H-ベンゾ[de]アントラセン-7-オン
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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:
C66 H72 N6 O6 Si2
Molecular formula furigana:
C66-H72-N6-O6-SI2
Molecular weight:
1101.508
InChI:
InChI=1S/C66H72N6O6Si2/c1-64(2,3)79(8,9)76-42-55-54(78-80(10,11)65(4,5)6)40-56(77-55)72-60-58(68-63(72)67-53-39-38-49-48-30-21-22-31-50(48)59(73)52-33-23-32-51(53)57(49)52)61(75-41-43-24-15-12-16-25-43)70-62(69-60)71-66(44-26-17-13-18-27-44,45-28-19-14-20-29-45)46-34-36-47(74-7)37-35-46/h12-39,54-56H,40-42H2,1-11H3,(H,67,68)(H,69,70,71)/t54-,55+,56+/m0/s1
InChI key:
XKTFQFZGKDGRNN-GIBSMHJUSA-N
SMILES:
COc1ccc(cc1)C(Nc1nc(OCc2ccccc2)c2nc(Nc3ccc4c5ccccc5C(=O)c5cccc3c45)n([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1)(c1ccccc1)c1ccccc1
Systematic name (3):
3-[2-(4-メトキシトリチルアミノ)-6-(ベンジルオキシ)-9-[3-O,5-O-ビス(tert-ブチルジメチルシリル)-2-デオキシ-β-D-erythro-ペントフラノシル]-9H-プリン-8-イルアミノ]-7H-ベンゾ[de]アントラセン-7-オン
14-{[6-(ベンジルオキシ)-9-[(2R,4S,5R)-4-[(tert-ブチルジメチルシリル)オキシ]-5-{[(tert-ブチルジメチルシリル)オキシ]メチル}オキソラン-2-イル]-2-{[(4-メトキシフェニル)ジフェニルメチル]アミノ}-9H-プリン-8-イル]アミノ}テトラシクロ[7.7.1.02,7 .013,17 ]ヘプタデカ-1(17),2,4,6,9,11,13,15-オクタエン-8-オン
14-{[6-(benzyloxy)-9-[(2R,4S,5R)-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-2-{[(4-methoxyphenyl)diphenylmethyl]amino}-9H-purin-8-yl]amino}tetracyclo[7.7.1.02,7 .013,17 ]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Other name (1):
3-[2-(4-Methoxytritylamino)-6-(benzyloxy)-9-[3-O,5-O-bis(tert-butyldimethylsilyl)-2-deoxy-β-D-erythro-pentofuranosyl]-9H-purine-8-ylamino]-7H-benzo[de]anthracene-7-one
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