Chem
J-GLOBAL ID:200907001072377717   Nikkaji number:J2.772.020J

2,3,4,7-Tetrahydro-5-methyl-6-allyloxepin-3β,4β-diol 3-acetate 4-(4-methoxybenzoate)

2,3,4,7-テトラヒドロ-5-メチル-6-アリルオキセピン-3β,4β-ジオール3-アセタート4-(4-メトキシベンゾアート)
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: C20H24O6
Molecular formula furigana: C20-H24-O6
Molecular weight: 360.406
InChI: InChI=1S/C20H24O6/c1-5-6-16-11-24-12-18(25-14(3)21)19(13(16)2)26-20(22)15-7-9-17(23-4)10-8-15/h5,7-10,18-19H,1,6,11-12H2,2-4H3/t18-,19+/m1/s1
InChI key: HNGWDZGQFFJRGI-MOPGFXCFSA-N
SMILES: COc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COCC(=C1C)CC=C)OC(=O)C
Systematic name  (3):
  • 2,3,4,7-テトラヒドロ-5-メチル-6-アリルオキセピン-3β,4β-ジオール3-アセタート4-(4-メトキシベンゾアート)
  • (3R,4S)-3-(アセチルオキシ)-5-メチル-6-(プロパ-2-エン-1-イル)-2,3,4,7-テトラヒドロオキセピン-4-イル 4-メトキシベンゾアート
  • (3R,4S)-3-(acetyloxy)-5-methyl-6-(prop-2-en-1-yl)-2,3,4,7-tetrahydrooxepin-4-yl 4-methoxybenzoate
Other name (1):
  • 2,3,4,7-Tetrahydro-5-methyl-6-allyloxepin-3β,4β-diol 3-acetate 4-(4-methoxybenzoate)
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