Chem
J-GLOBAL ID：201807021148164379   Nikkaji number：J3.722.197J

Maceneolignan J

マセネオリグナンJ
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： C22H24O6
Molecular formula furigana： C22-H24-O6
Molecular weight： 384.428
InChI： InChI=1S/C22H24O6/c1-5-6-16-7-9-19(20(11-16)24-4)27-14(2)22(28-15(3)23)17-8-10-18-21(12-17)26-13-25-18/h5-12,14,22H,13H2,1-4H3/t14-,22-/m1/s1
InChI key： XCTCYVXBQMFJBF-JLCFBVMHSA-N
SMILES： COc1cc(C=CC)ccc1O[C@H](C)[C@@H](OC(=O)C)c1ccc2OCOc2c1
Systematic name  (3)：
  • (1S,2R)-1-(1,3-ベンゾジオキソール-5-イル)-2-[2-メトキシ-4-(1-プロペニル)フェノキシ]-1-プロパノールアセタート
  • (1S,2R)-1-(2H-1,3-ベンゾジオキソール-5-イル)-2-[2-メトキシ-4-(プロパ-1-エン-1-イル)フェノキシ]プロピル アセタート
  • (1S,2R)-1-(2H-1,3-benzodioxol-5-yl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]propyl acetate
Other name (3)：
  • (1S,2R)-1-(1,3-Benzodioxole-5-yl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol acetate
  • マセネオリグナンJ
  • Maceneolignan J
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