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| CAS No.: | 73069-25-7 |
| Molecular Formula | C₂₁H₂₂O₇ |
| Molecular Weight | 386.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: [(9R,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
InChI: InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m0/s1
InChIKey: XGPBRZDOJDLKOT-CIRUDOSSSA-N
Canonical SMILES: CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
Isomeric SMILES: C/C=C(/C)C(=O)O[C@@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
Synonyms: Praeruptorin A; 73069-25-7; (-)-Praeruptorin A; [(9R,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate; (+/-)-Praeruptorin A; (-)-pareruptorin-A; CHEMBL3577347; s9315; …
Botanical Source: Peucedanum praeruptorum
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