Chem
J-GLOBAL ID:200907096159066867   Nikkaji number:J18.636H

Beauverolide H

ボーベロリドH
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: C27H41N3O5
Molecular formula furigana: C27-H41-N3-O5
Molecular weight: 487.641
InChI: InChI=1S/C27H41N3O5/c1-5-6-7-11-14-21-17-24(31)29-22(16-20-12-9-8-10-13-20)26(33)28-19(4)25(32)30-23(15-18(2)3)27(34)35-21/h8-10,12-13,18-19,21-23H,5-7,11,14-17H2,1-4H3,(H,28,33)(H,29,31)(H,30,32)/t19-,21?,22-,23?/m0/s1
InChI key: YUJXCNCSPRKCFX-XXDDBKGRSA-N
SMILES: CCCCCCC1CC(=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-オキソノニル]-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-13-ヘキシル-6-メチル-3-(2-メチルプロピル)-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-13-hexyl-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (4):
  • ボーベロリドH
  • ベアウベロリドH
  • Beauverolide H
  • N-[N-[N-[(R)-3-Hydroxy-1-oxononyl]-L-phenylalanyl]-L-alanyl]-D-leucine λ-lactone
CAS registry number: 62995-90-8
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