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Catalog | BBC75590339 |
CAS | 75590-33-9 |
Synonyms | Chaerophyllin |
IUPAC Name | (3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one |
Molecular Weight | 368.4 |
Molecular Formula | C21H20O6 |
Canonical SMILES | COC1=C(C=C(C=C1)C=C2C(COC2=O)CC3=CC4=C(C=C3)OCO4)OC |
InChI | InChI=1S/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m0/s1 |
InChI Key | CSKOHFAJPKLSBP-MDNIKOHYSA-N |
Purity | 98% |
Appearance | Powder |
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