Chem
J-GLOBAL ID：200907056431247386   Nikkaji number：J1.835.213C

(αS,2R)-α,2-Dihydroxy-α-methyl-5α-[(S)-2-methylbutyl]-6β-ethyltetrahydro-2H-pyran-2β-acetic acid benzyl ester

(αS,2R)-α,2-ジヒドロキシ-α-メチル-5α-[(S)-2-メチルブチル]-6β-エチルテトラヒドロ-2H-ピラン-2β-酢酸ベンジル
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： C22H34O5
Molecular formula furigana： C22-H34-O5
Molecular weight： 378.509
InChI： InChI=1S/C22H34O5/c1-5-16(3)14-18-12-13-22(25,27-19(18)6-2)21(4,24)20(23)26-15-17-10-8-7-9-11-17/h7-11,16,18-19,24-25H,5-6,12-15H2,1-4H3/t16-,18+,19+,21+,22+/m0/s1
InChI key： WZMZWEPNKQZPLZ-JTYVBTRNSA-N
SMILES： CC[C@H](C)C[C@H]1CC[C@@](O)(O[C@@H]1CC)[C@](C)(O)C(=O)OCc1ccccc1
Systematic name  (3)：
  • (αS,2R)-α,2-ジヒドロキシ-α-メチル-5α-[(S)-2-メチルブチル]-6β-エチルテトラヒドロ-2H-ピラン-2β-酢酸ベンジル
  • ベンジル (2S)-2-[(2R,5R,6R)-6-エチル-2-ヒドロキシ-5-[(2S)-2-メチルブチル]オキサン-2-イル]-2-ヒドロキシプロパノアート
  • benzyl (2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]oxan-2-yl]-2-hydroxypropanoate
Other name (1)：
  • (αS,2R)-α,2-Dihydroxy-α-methyl-5α-[(S)-2-methylbutyl]-6β-ethyltetrahydro-2H-pyran-2β-acetic acid benzyl ester
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