Chem
J-GLOBAL ID:200907049828753524   Nikkaji number:J2.170.434B

Pivalic acid (1R,2R)-1-[(5-oxo-6β-methoxy-6-(1,1-dimethylallyl)tetrahydro-2H-pyran-2α-yl)methyl]-2-[(benzyloxy)methoxy]propyl ester

ピバル酸(1R,2R)-1-[(5-オキソ-6β-メトキシ-6-(1,1-ジメチルアリル)テトラヒドロ-2H-ピラン-2α-イル)メチル]-2-[(ベンジルオキシ)メトキシ]プロピル
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: C28H42O7
Molecular formula furigana: C28-H42-O7
Molecular weight: 490.637
InChI: InChI=1S/C28H42O7/c1-9-27(6,7)28(31-8)24(29)16-15-22(35-28)17-23(34-25(30)26(3,4)5)20(2)33-19-32-18-21-13-11-10-12-14-21/h9-14,20,22-23H,1,15-19H2,2-8H3/t20-,22+,23-,28-/m1/s1
InChI key: XTVVWQDKESIJFG-KDLBBEOESA-N
SMILES: CO[C@]1(O[C@H](C[C@@H](OC(=O)C(C)(C)C)[C@@H](C)OCOCc2ccccc2)CCC1=O)C(C)(C)C=C
Systematic name  (3):
  • ピバル酸(1R,2R)-1-[(5-オキソ-6β-メトキシ-6-(1,1-ジメチルアリル)テトラヒドロ-2H-ピラン-2α-イル)メチル]-2-[(ベンジルオキシ)メトキシ]プロピル
  • (2R,3R)-3-[(ベンジルオキシ)メトキシ]-1-[(2S,6S)-6-メトキシ-6-(2-メチルブタ-3-エン-2-イル)-5-オキソオキサン-2-イル]ブタン-2-イル 2,2-ジメチルプロパノアート
  • (2R,3R)-3-[(benzyloxy)methoxy]-1-[(2S,6S)-6-methoxy-6-(2-methylbut-3-en-2-yl)-5-oxooxan-2-yl]butan-2-yl 2,2-dimethylpropanoate
Other name (1):
  • Pivalic acid (1R,2R)-1-[(5-oxo-6β-methoxy-6-(1,1-dimethylallyl)tetrahydro-2H-pyran-2α-yl)methyl]-2-[(benzyloxy)methoxy]propyl ester
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