Chem
J-GLOBAL ID:200907048642514272   Nikkaji number:J1.707.261G

(2R,7R,8R,11E,13S)-2-[[3-(Methoxymethoxy)-6-isopropoxy-7,8-dimethoxy-2-naphthyl]carbonylamino]-7-(triisopropylsiloxy)-8-hydroxy-8-(2-propynyl)-11-bromo-13-[(1S)-1-(tert-butyldimethylsiloxy)-2-propynyl]-19-chloro-5,14-dioxa-17-azabicyclo[13.2.2]nonadecane-1(18),11,15(19),16-tetrene-9-yne-4-one

(2R,7R,8R,11E,13S)-2-[[3-(メトキシメトキシ)-6-イソプロポキシ-7,8-ジメトキシ-2-ナフチル]カルボニルアミノ]-7-(トリイソプロピルシロキシ)-8-ヒドロキシ-8-(2-プロピニル)-11-ブロモ-13-[(1S)-1-(tert-ブチルジメチルシロキシ)-2-プロピニル]-19-クロロ-5,14-ジオキサ-17-アザビシクロ[13.2.2]ノナデカン-1(18),11,15(19),16-テトラエン-9-イン-4-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: C55H74BrClN2O12Si2
Molecular formula furigana: C55-H74-BR-CL-N2-O12-SI2
Molecular weight: 1126.720
InChI: InChI=1S/C55H74BrClN2O12Si2/c1-19-22-55(62)23-21-38(56)26-46(44(20-2)70-72(17,18)54(11,12)13)69-48-30-58-42(28-41(48)57)43(29-50(60)66-31-49(55)71-73(34(5)6,35(7)8)36(9)10)59-53(61)40-27-39-37(24-45(40)67-32-63-14)25-47(68-33(3)4)52(65-16)51(39)64-15/h1-2,24-28,30,33-36,43-44,46,49,62H,22,29,31-32H2,3-18H3,(H,59,61)/b38-26+/t43-,44+,46+,49-,55-/m1/s1
InChI key: LRJOXMOMOPWAQM-FDURKGFMSA-N
SMILES: COCOc1cc2cc(OC(C)C)c(OC)c(OC)c2cc1C(=O)N[C@@H]1CC(=O)OC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@](O)(CC#C)C#C/C(=C\[C@H](Oc2cnc1cc2Cl)[C@@H](O[Si](C)(C)C(C)(C)C)C#C)/Br
Systematic name  (3):
  • (2R,7R,8R,11E,13S)-2-[[3-(メトキシメトキシ)-6-イソプロポキシ-7,8-ジメトキシ-2-ナフチル]カルボニルアミノ]-7-(トリイソプロピルシロキシ)-8-ヒドロキシ-8-(2-プロピニル)-11-ブロモ-13-[(1S)-1-(tert-ブチルジメチルシロキシ)-2-プロピニル]-19-クロロ-5,14-ジオキサ-17-アザビシクロ[13.2.2]ノナデカン-1(18),11,15(19),16-テトラエン-9-イン-4-オン
  • N-[(3S,4E,8R,9R,14R)-5-ブロモ-3-[(1S)-1-[(tert-ブチルジメチルシリル)オキシ]プロパ-2-イン-1-イル]-18-クロロ-8-ヒドロキシ-12-オキソ-8-(プロパ-2-イン-1-イル)-9-{[トリス(プロパン-2-イル)シリル]オキシ}-2,11-ジオキサ-16-アザビシクロ[13.2.2]ノナデカ-1(17),4,15,18-テトラエン-6-イン-14-イル]-7,8-ジメトキシ-3-(メトキシメトキシ)-6-(プロパン-2-イルオキシ)ナフタレン-2-カルボキサミド
  • N-[(3S,4E,8R,9R,14R)-5-bromo-3-[(1S)-1-[(tert-butyldimethylsilyl)oxy]prop-2-yn-1-yl]-18-chloro-8-hydroxy-12-oxo-8-(prop-2-yn-1-yl)-9-{[tris(propan-2-yl)silyl]oxy}-2,11-dioxa-16-azabicyclo[13.2.2]nonadeca-1(17),4,15,18-tetraen-6-yn-14-yl]-7,8-dimethoxy-3-(methoxymethoxy)-6-(propan-2-yloxy)naphthalene-2-carboxamide
Other name (1):
  • (2R,7R,8R,11E,13S)-2-[[3-(Methoxymethoxy)-6-isopropoxy-7,8-dimethoxy-2-naphthyl]carbonylamino]-7-(triisopropylsiloxy)-8-hydroxy-8-(2-propynyl)-11-bromo-13-[(1S)-1-(tert-butyldimethylsiloxy)-2-propynyl]-19-chloro-5,14-dioxa-17-azabicyclo[13.2.2]nonadecane-1(18),11,15(19),16-tetrene-9-yne-4-one
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