Chem
J-GLOBAL ID：200907037944571443   Nikkaji number：J34.218A

Isarolide A

イサロリドA
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： C31H49N3O5
Molecular formula furigana： C31-H49-N3-O5
Molecular weight： 543.749
InChI： InChI=1S/C31H49N3O5/c1-7-9-10-12-15-22(6)25-19-26(35)33-27(20(3)4)30(37)32-24(18-23-16-13-11-14-17-23)29(36)34-28(21(5)8-2)31(38)39-25/h11,13-14,16-17,20-22,24-25,27-28H,7-10,12,15,18-19H2,1-6H3,(H,32,37)(H,33,35)(H,34,36)/t21-,22?,24-,25?,27-,28?/m0/s1
InChI key： HJBLIOPGIUXVFY-YMMNVRPCSA-N
SMILES： CCCCCCC(C)C1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC([C@@H](C)CC)C(=O)O1
Systematic name  (3)：
  • N-[N-[N-(3-ヒドロキシ-4-メチル-1-オキソデシル)-L-バリル]-L-フェニルアラニル]-D-アロイソロイシンλ-ラクトン
  • (3R,6S,9S)-6-ベンジル-3-[(2S)-ブタン-2-イル]-13-(オクタン-2-イル)-9-(プロパン-2-イル)-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)-6-benzyl-3-[(2S)-butan-2-yl]-13-(octan-2-yl)-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (7)：
  • イサロリドA
  • Isarolide A
  • ベアウベリリドA
  • ベアウベロリドBa
  • Beauverilide A
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CAS registry number： 13594-27-9
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