Chem
J-GLOBAL ID：202307016002237230   Nikkaji number：J3.793.243D

オクタデシル3-[(21S,22S)-16-(1-ヒドロキシエチル)-12,17,21,26-テトラメチル-11-(2-メチルプロピル)-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1(23),2(6),5(26),8,10(25),11,13,15,17,19-デカエン-22-イル]プロパノアート

オクタデシル3-[(21S,22S)-16-(1-ヒドロキシエチル)-12,17,21,26-テトラメチル-11-(2-メチルプロピル)-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1(23),2(6),5(26),8,10(25),11,13,15,17,19-デカエン-22-イル]プロパノアート
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： C53H76N4O4
Molecular formula furigana： C53-H76-N4-O4
Molecular weight： 833.215
InChI： InChI=1S/C53H76N4O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-61-49(60)26-25-39-34(4)43-30-44-36(6)50(38(8)58)47(55-44)32-42-35(5)40(28-33(2)3)46(54-42)31-45-37(7)51-48(59)29-41(52(39)56-43)53(51)57-45/h30-34,38-39,55,57-58H,9-29H2,1-8H3/b42-32-,43-30-,44-30-,45-31-,46-31-,47-32-,52-41-/t34-,38?,39-/m0/s1
InChI key： BLGHYQZGDKXSAO-YAPJZRRCSA-N
SMILES： C1(=C(/C/2=C/c3c(c(c(/C=C\4/[C@H]([C@@H](C(=N4)C4=c5c(c(/c(=C/C1=N2)/[nH]5)C)C(=O)C4)CCC(=O)OCCCCCCCCCCCCCCCCCC)C)[nH]3)C)C(O)C)C)CC(C)C
Systematic name  (2)：
  • オクタデシル3-[(21S,22S)-16-(1-ヒドロキシエチル)-12,17,21,26-テトラメチル-11-(2-メチルプロピル)-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1(23),2(6),5(26),8,10(25),11,13,15,17,19-デカエン-22-イル]プロパノアート
  • octadecyl 3-[(21S,22S)-16-(1-hydroxyethyl)-12,17,21,26-tetramethyl-11-(2-methylpropyl)-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoate
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