Chem
J-GLOBAL ID：200907065848085612   Nikkaji number：J2.683.814B

Aplyronine F

アプリロニンF
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： C58H99N3O14
Molecular formula furigana： C58-H99-N3-O14
Molecular weight： 1062.437
InChI： InChI=1S/C58H99N3O14/c1-37-26-27-38(2)49(71-17)30-28-39(3)55(66)43(7)51(75-58(68)48(35-69-15)60(12)13)23-19-18-20-25-53(64)73-50(24-21-22-47(34-37)70-16)42(6)54(65)40(4)29-31-52(74-57(67)45(9)59-11)44(8)56(72-46(10)63)41(5)32-33-61(14)36-62/h18-22,25,27,32-33,36-37,39-45,47-52,54-56,59,65-66H,23-24,26,28-31,34-35H2,1-17H3/b19-18+,22-21+,25-20+,33-32+,38-27+/t37-,39-,40+,41-,42-,43-,44+,45+,47+,48+,49?,50+,51?,52-,54+,55-,56-/m1/s1
InChI key： FOHAXYYWTCIPHD-MAIOCSOOSA-N
SMILES： CN[C@@H](C)C(=O)O[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@@H]1C/C=C/[C@@H](C[C@H](C)C/C=C(\C)/C(CC[C@@H](C)[C@@H](O)[C@H](C)C(C/C=C/C=C/C(=O)O1)OC(=O)[C@H](COC)N(C)C)OC)OC)[C@H](C)[C@H](OC(=O)C)[C@H](C)/C=C/N(C)C=O
Systematic name  (3)：
  • (3S,5E,7R,9R,11E,13S,16R,17R,18S,19R,21E,23E)-3-[(1S,2S,3S,6R,7S,8R,9R,10E)-1,3,7,9-テトラメチル-2-ヒドロキシ-6-[[(S)-2-(メチルアミノ)プロピオニル]オキシ]-8-アセチルオキシ-11-[メチル(ホルミル)アミノ]-10-ウンデセニル]-7,13-ジメトキシ-9,12,16,18-テトラメチル-17-ヒドロキシ-19-[[(S)-2-ジメチルアミノ-3-メトキシプロピオニル]オキシ]-2-オキサシクロテトラコサ-5,11,21,23-テトラエン-1-オン
  • (1E,3R,4R,5S,6R,9S,10S,11S)-4-(アセチルオキシ)-11-[(2S,4E,6R,8R,10E,12S,15R,16R,17S,18R,20E,22E)-18-{[(2S)-2-(ジメチルアミノ)-3-メトキシプロパノイル]オキシ}-16-ヒドロキシ-6,12-ジメトキシ-8,11,15,17-テトラメチル-24-オキソ-1-オキサシクロテトラコサ-4,10,20,22-テトラエン-2-イル]-10-ヒドロキシ-3,5,9-トリメチル-1-(N-メチルホルムアミド)ドデカ-1-エン-6-イル (2S)-2-(メチルアミノ)プロパノアート
  • (1E,3R,4R,5S,6R,9S,10S,11S)-4-(acetyloxy)-11-[(2S,4E,6R,8R,10E,12S,15R,16R,17S,18R,20E,22E)-18-{[(2S)-2-(dimethylamino)-3-methoxypropanoyl]oxy}-16-hydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-10-hydroxy-3,5,9-trimethyl-1-(N-methylformamido)dodec-1-en-6-yl (2S)-2-(methylamino)propanoate
Other name (3)：
  • (3S,5E,7R,9R,11E,13S,16R,17R,18S,19R,21E,23E)-3-[(1S,2S,3S,6R,7S,8R,9R,10E)-1,3,7,9-Tetramethyl-2-hydroxy-6-[[(S)-2-(methylamino)propionyl]oxy]-8-acetyloxy-11-[methyl(formyl)amino]-10-undecenyl]-7,13-dimethoxy-9,12,16,18-tetramethyl-17-hydroxy-19-[[(S)-2-dimethylamino-3-methoxypropionyl]oxy]-2-oxacyclotetracosa-5,11,21,23-tetraene-1-one
  • アプリロニンF
  • Aplyronine F
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