Chem
J-GLOBAL ID：201807002809934600   Nikkaji number：J3.720.247I

Paralemnolide A

パラレムノリド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： C15H22O5
Molecular formula furigana： C15-H22-O5
Molecular weight： 282.336
InChI： InChI=1S/C15H22O5/c1-8-4-5-11(17)15-7-6-10(19-9(2)16)12(13(18)20-15)14(8,15)3/h8,10-12,17H,4-7H2,1-3H3/t8-,10-,11-,12+,14-,15-/m0/s1
InChI key： ZGLCXLBWVBASRA-ZZOQULRCSA-N
SMILES： C[C@H]1CC[C@H](O)[C@]23CC[C@H](OC(=O)C)[C@H](C(=O)O2)[C@]13C
Systematic name  (3)：
  • (1R)-2β-アセトキシ-4aβ,5β-ジヒドロキシ-8α,8aα-ジメチルデカリン-1β-カルボン酸1,4a-ラクトン
  • (1R,2S,5S,6S,7R,8S)-2-ヒドロキシ-5,6-ジメチル-12-オキソ-11-オキサトリシクロ[5.3.2.01,6]ドデカン-8-イル アセタート
  • (1R,2S,5S,6S,7R,8S)-2-hydroxy-5,6-dimethyl-12-oxo-11-oxatricyclo[5.3.2.01,6]dodecan-8-yl acetate
Other name (3)：
  • (1R)-2β-Acetoxy-4aβ,5β-dihydroxy-8α,8aα-dimethyldecalin-1β-carboxylic acid 1,4a-lactone
  • パラレムノリドA
  • Paralemnolide A
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