$65.00
| CAS No.: | 28808-62-0 |
| Molecular Formula | C₁₄H₁₆O₃ |
| Molecular Weight | 232.27g/mol |
| Purity | HPLC>98% |
| Chemical Family | Sesquiterpenoids |
| Weight |
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IUPAC Name: (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
InChI: InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
InChIKey: XYYAFLHHHZVPRN-GXTWGEPZSA-N
Canonical SMILES: CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3
Isomeric SMILES: CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3
Synonyms: Fraxinellone; 28808-62-0; (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; NSC638730; (3R,3aR)-3-(Furan-3-yl)-3a,7-dimethyl-3a,4,5,6-tetrahydroisobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-; Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-; (3R,3aS)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; …
Botanical Source: Densefruit Pittany Root-bark
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