Chem
J-GLOBAL ID：200907025807201258   Nikkaji number：J2.454.465F

5-[(2S)-3α,4β-Bis(butoxymethyl)-5α-(3,4-dimethoxyphenyl)oxolane-2α-yl]-1,3-benzodioxole

5-[(2S)-3α,4β-ビス(ブトキシメチル)-5α-(3,4-ジメトキシフェニル)オキソラン-2α-イル]-1,3-ベンゾジオキソール
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： C29H40O7
Molecular formula furigana： C29-H40-O7
Molecular weight： 500.632
InChI： InChI=1S/C29H40O7/c1-5-7-13-32-17-22-23(18-33-14-8-6-2)29(21-10-12-25-27(16-21)35-19-34-25)36-28(22)20-9-11-24(30-3)26(15-20)31-4/h9-12,15-16,22-23,28-29H,5-8,13-14,17-19H2,1-4H3/t22-,23-,28+,29-/m1/s1
InChI key： NHRPWBSDZKMKBY-CKBJTTGDSA-N
SMILES： CCCCOC[C@@H]1[C@@H](COCCCC)[C@@H](O[C@@H]1c1ccc2OCOc2c1)c1ccc(OC)c(OC)c1
Systematic name  (3)：
  • 5-[(2S)-3α,4β-ビス(ブトキシメチル)-5α-(3,4-ジメトキシフェニル)オキソラン-2α-イル]-1,3-ベンゾジオキソール
  • 5-[(2S,3S,4S,5R)-3,4-ビス(ブトキシメチル)-5-(3,4-ジメトキシフェニル)オキソラン-2-イル]-2H-1,3-ベンゾジオキソール
  • 5-[(2S,3S,4S,5R)-3,4-bis(butoxymethyl)-5-(3,4-dimethoxyphenyl)oxolan-2-yl]-2H-1,3-benzodioxole
Other name (1)：
  • 5-[(2S)-3α,4β-Bis(butoxymethyl)-5α-(3,4-dimethoxyphenyl)oxolane-2α-yl]-1,3-benzodioxole
Thsaurus map：
Thesaurus Map

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