Chem
J-GLOBAL ID：200907052534894783   Nikkaji number：J4.476H

Heliotrine

ヘリオトリン
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： C16H27NO5
Molecular formula furigana： C16-H27-N-O5
Molecular weight： 313.394
InChI： InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1
InChI key： LMFKRLGHEKVMNT-UJDVCPFMSA-N
SMILES： CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
Systematic name  (3)：
  • (2S)-2-ヒドロキシ-2-[(R)-1-メトキシエチル]-3-メチル酪酸[(1S,7aR)-2,3,5,7a-テトラヒドロ-1-ヒドロキシ-1H-ピロリザイン-7-イル]メチル
  • [(1S,7aR)-1-ヒドロキシ-2,3,5,7a-テトラヒドロ-1H-ピロリジン-7-イル]メチル (2S)-2-ヒドロキシ-2-[(1R)-1-メトキシエチル]-3-メチルブタノアート
  • [(1S,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
Other name (4)：
  • ヘリオトリン
  • Heliotrine
  • (2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl
  • (2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester
CAS registry number： 303-33-3
KEGG COMPOUND： C10324
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM