Chem
J-GLOBAL ID：200907092253117542   Nikkaji number：J14.437A

Carpaine

カルパイン
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： C28H50N2O4
Molecular formula furigana： C28-H50-N2-O4
Molecular weight： 478.718
InChI： InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1
InChI key： AMSCMASJCYVAIF-QCVMBYIASA-N
SMILES： C[C@@H]1N[C@H]2CC[C@@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)N1
Systematic name  (2)：
  • (1S,11R,13S,14S,24R,26S)-13,26-ジメチル-2,15-ジオキサ-12,25-ジアザトリシクロ[22.2.2.211,14]トリアコンタン-3,16-ジオン
  • (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
Other name (3)：
  • カルパイン
  • Carpaine
  • (1S,11R,13S,14S,24R,26S)-13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
CAS registry number： 3463-92-1
Regulation number (1)：
  • EINECS2224142
KEGG COMPOUND： C10135
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