Chem
J-GLOBAL ID：200907068536365820   Nikkaji number：J18.635J

Beauverolide I

ボーベロリドI
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： C29H45N3O5
Molecular formula furigana： C29-H45-N3-O5
Molecular weight： 515.695
InChI： InChI=1S/C29H45N3O5/c1-5-6-7-8-9-13-16-23-19-26(33)31-24(18-22-14-11-10-12-15-22)28(35)30-21(4)27(34)32-25(17-20(2)3)29(36)37-23/h10-12,14-15,20-21,23-25H,5-9,13,16-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)/t21-,23?,24-,25?/m0/s1
InChI key： FXRHKHIFGAENHJ-NIKPWPEISA-N
SMILES： CCCCCCCCC1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC(CC(C)C)C(=O)O1
Systematic name  (3)：
  • N-[N-[N-[(R)-3-ヒドロキシ-1-オキソウンデシル]-L-フェニルアラニル]-L-アラニル]-D-ロイシンλ-ラクトン
  • (3R,6S,9S,13R)-9-ベンジル-6-メチル-3-(2-メチルプロピル)-13-オクチル-1-オキサ-4,7,10-トリアザシクロトリデカン-2,5,8,11-テトラオン
  • (3R,6S,9S,13R)-9-benzyl-6-methyl-3-(2-methylpropyl)-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (4)：
  • ボーベロリドI
  • ベアウベロリドI
  • Beauverolide I
  • N-[N-[N-[(R)-3-Hydroxy-1-oxoundecyl]-L-phenylalanyl]-L-alanyl]-D-leucine λ-lactone
CAS registry number： 62995-91-9
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