Chem
J-GLOBAL ID：200907040817447750   Nikkaji number：J1.875.435E

Exigurin

イグジグリン
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： C21H36N2O3
Molecular formula furigana： C21-H36-N2-O3
Molecular weight： 364.530
InChI： InChI=1S/C21H36N2O3/c1-14(2)17-8-7-16(4)21(10-9-15(3)11-21)20(17)22-18(24)12-23(5)13-19(25)26-6/h11,14,16-17,20H,7-10,12-13H2,1-6H3,(H,22,24)/t16-,17-,20+,21+/m0/s1
InChI key： JWROISLFQFHVRT-ZCLUNYJNSA-N
SMILES： COC(=O)CN(C)CC(=O)N[C@@H]1[C@@H](CC[C@H](C)[C@@]21CCC(=C2)C)C(C)C
Systematic name  (3)：
  • [[[(5S,6R,7S,10S)-2,10-ジメチル-7-イソプロピルスピロ[4.5]デカ-1-エン-6-イル]カルバモイルメチル](メチル)アミノ]酢酸メチル
  • メチル 2-[({[(5S,6R,7S,10S)-2,10-ジメチル-7-(プロパン-2-イル)スピロ[4.5]デカ-1-エン-6-イル]カルバモイル}メチル)(メチル)アミノ]アセタート
  • methyl 2-[({[(5S,6R,7S,10S)-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-en-6-yl]carbamoyl}methyl)(methyl)amino]acetate
Other name (4)：
  • [[[(5S,6R,7S,10S)-2,10-Dimethyl-7-isopropylspiro[4.5]deca-1-ene-6-yl]carbamoylmethyl](methyl)amino]acetic acid methyl ester
  • エキシグリン
  • Exigurin
  • イグジグリン
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