Chem
J-GLOBAL ID:200907061958349210   Nikkaji number:J2.108.387I

Boneratamide B methyl ester

ボネラタミドBメチルエステル
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: C24H38N2O4
Molecular formula furigana: C24-H38-N2-O4
Molecular weight: 418.578
InChI: InChI=1S/C24H38N2O4/c1-14(2)18-8-7-16(4)24(12-11-15(3)13-24)21(18)25-22(28)17(5)26-19(23(29)30-6)9-10-20(26)27/h13-14,16-19,21H,7-12H2,1-6H3,(H,25,28)/t16-,17?,18+,19?,21-,24-/m1/s1
InChI key: DHBZMBYIJDLUIZ-YRDXDHHGSA-N
SMILES: COC(=O)C1CCC(=O)N1C(C)C(=O)N[C@@H]1[C@@H](CC[C@@H](C)[C@@]21CCC(=C2)C)C(C)C
Systematic name  (3):
  • 1-[2-[[(1R,2S,5R,6S)-2-イソプロピル-5,9-ジメチルスピロ[5.4]デカ-9-エン-1-イル]アミノ]-1-メチル-2-オキソエチル]-5-オキソピロリジン-2-カルボン酸メチル
  • メチル 1-(1-{[(5S,6R,7S,10R)-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}エチル)-5-オキソピロリジン-2-カルボキシラート
  • methyl 1-(1-{[(5S,6R,7S,10R)-2,10-dimethyl-7-(propan-2-yl)spiro[4.5]dec-1-en-6-yl]carbamoyl}ethyl)-5-oxopyrrolidine-2-carboxylate
Other name (5):
  • 1-[2-[[(1R,2S,5R,6S)-2-Isopropyl-5,9-dimethylspiro[5.4]deca-9-ene-1-yl]amino]-1-methyl-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester
  • ボネラタミドBメチルエステル
  • ボネラタミドCメチルエステル
  • Boneratamide B methyl ester
  • Boneratamide C methyl ester
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