Chem
J-GLOBAL ID:200907041475651640   Nikkaji number:J2.015.452G

N,N′-Bis[(S)-α-(hydroxymethyl)phenethyl]-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-dicarboxamide

N,N′-ビス[(S)-α-(ヒドロキシメチル)フェネチル]-2,7-ジ-tert-ブチル-9,9-ジメチル-9H-キサンテン-4,5-ジカルボアミド
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: C43H52N2O5
Molecular formula furigana: C43-H52-N2-O5
Molecular weight: 676.898
InChI: InChI=1S/C43H52N2O5/c1-41(2,3)29-21-33(39(48)44-31(25-46)19-27-15-11-9-12-16-27)37-35(23-29)43(7,8)36-24-30(42(4,5)6)22-34(38(36)50-37)40(49)45-32(26-47)20-28-17-13-10-14-18-28/h9-18,21-24,31-32,46-47H,19-20,25-26H2,1-8H3,(H,44,48)(H,45,49)/t31-,32-/m0/s1
InChI key: OWELBNLBEYHVRD-ACHIHNKUSA-N
SMILES: CC(C)(C)c1cc(C(=O)N[C@H](CO)Cc2ccccc2)c2Oc3c(cc(cc3C(C)(C)c2c1)C(C)(C)C)C(=O)N[C@H](CO)Cc1ccccc1
Systematic name  (3):
  • N,N′-ビス[(S)-α-(ヒドロキシメチル)フェネチル]-2,7-ジ-tert-ブチル-9,9-ジメチル-9H-キサンテン-4,5-ジカルボアミド
  • 2,7-ジ-tert-ブチル-N4,N5-ビス[(2S)-1-ヒドロキシ-3-フェニルプロパン-2-イル]-9,9-ジメチル-9H-キサンテン-4,5-ジカルボキサミド
  • 2,7-di-tert-butyl-N4,N5-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-9,9-dimethyl-9H-xanthene-4,5-dicarboxamide
Other name (1):
  • N,N′-Bis[(S)-α-(hydroxymethyl)phenethyl]-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-dicarboxamide
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