Chem
J-GLOBAL ID：200907079822818701   Nikkaji number：J2.732.188G

N-Methyl-N-[(1E,3R,4R,5R,9S,10S)-3,5,9-trimethyl-4,10-dimethoxy-6-oxo-11-[(3S,7S,8S,9S,22E,26R,27S)-1-oxo-3,7,9-trihydroxy-8,26-dimethyl-10,13:14,17:18,21-trinitrilo-12,16,20,28-tetraoxa-cyclooctacosane-10,14,18,22-tetraene-27-yl]-1-undecenyl]formamide

N-メチル-N-[(1E,3R,4R,5R,9S,10S)-3,5,9-トリメチル-4,10-ジメトキシ-6-オキソ-11-[(3S,7S,8S,9S,22E,26R,27S)-1-オキソ-3,7,9-トリヒドロキシ-8,26-ジメチル-10,13:14,17:18,21-トリニトリロ-12,16,20,28-テトラオキサ-シクロオクタコサン-10,14,18,22-テトラエン-27-イル]-1-ウンデセニル]ホルムアミド
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： C44H64N4O12
Molecular formula furigana： C44-H64-N4-O12
Molecular weight： 841.012
InChI： InChI=1S/C44H64N4O12/c1-26-12-9-10-15-39-45-33(23-57-39)43-47-34(24-59-43)44-46-32(22-58-44)41(54)29(4)35(51)14-11-13-31(50)20-40(53)60-38(26)21-37(55-7)27(2)16-17-36(52)30(5)42(56-8)28(3)18-19-48(6)25-49/h10,15,18-19,22-31,35,37-38,41-42,50-51,54H,9,11-14,16-17,20-21H2,1-8H3/b15-10+,19-18+/t26-,27+,28-,29+,30+,31+,35+,37+,38+,41+,42-/m1/s1
InChI key： AFSRRDXXEKIUHV-WZLVHSIHSA-N
SMILES： CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](O)c2coc(n2)c2coc(n2)c2coc(/C=C/CC[C@H]1C)n2)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O
Systematic name  (3)：
  • N-メチル-N-[(1E,3R,4R,5R,9S,10S)-3,5,9-トリメチル-4,10-ジメトキシ-6-オキソ-11-[(3S,7S,8S,9S,22E,26R,27S)-1-オキソ-3,7,9-トリヒドロキシ-8,26-ジメチル-10,13:14,17:18,21-トリニトリロ-12,16,20,28-テトラオキサ-シクロオクタコサン-10,14,18,22-テトラエン-27-イル]-1-ウンデセニル]ホルムアミド
  • N-[(1E,3R,4R,5R,9S,10S)-4,10-ジメトキシ-3,5,9-トリメチル-6-オキソ-11-[(10S,11S,12S,16S,20S,21R,24E)-10,12,16-トリヒドロキシ-11,21-ジメチル-18-オキソ-3,7,19,27-テトラオキサ-29,30,31-トリアザテトラシクロ[24.2.1.12,5.16,9]ヘントリアコンタ-1(28),2(31),4,6(30),8,24,26(29)-ヘプタエン-20-イル]ウンデカ-1-エン-1-イル]-N-メチルホルムアミド
  • N-[(1E,3R,4R,5R,9S,10S)-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-11-[(10S,11S,12S,16S,20S,21R,24E)-10,12,16-trihydroxy-11,21-dimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]undec-1-en-1-yl]-N-methylformamide
Other name (1)：
  • N-Methyl-N-[(1E,3R,4R,5R,9S,10S)-3,5,9-trimethyl-4,10-dimethoxy-6-oxo-11-[(3S,7S,8S,9S,22E,26R,27S)-1-oxo-3,7,9-trihydroxy-8,26-dimethyl-10,13:14,17:18,21-trinitrilo-12,16,20,28-tetraoxa-cyclooctacosane-10,14,18,22-tetraene-27-yl]-1-undecenyl]formamide
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