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| CAS No.: | 130848-06-5 |
| Molecular Formula | C₁₉H₂₀O₅ |
| Molecular Weight | 328.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: [(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate
InChI: InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/b11-5-/t16-/m0/s1
InChIKey: AGABNGOXUSXQDD-XKGFZTIGSA-N
Canonical SMILES: CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C
Isomeric SMILES: C/C=C(/C)C(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C
Synonyms: Decursinol angelate; 130848-06-5; Acutilobin; LXU5241LCL; UNII-LXU5241LCL; 2-Butenoic acid, 2-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b’)dipyran-7-yl ester, (2Z)-; 2-Butenoic acid, 2-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b’)dipyran-7-yl ester, (S-(Z))-; (S)-8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (Z)-2-methylbut-2-enoate; …
Botanical Source: Angelicae sinensis Radix
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