Description
IUPAC Name: [(4S)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate
InChI: InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1
InChIKey: QKUFZFLZBUSEHN-CZLJMHDISA-N
Canonical SMILES: CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C
Isomeric SMILES: CC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)O)[C@@H](C)CCCOC(=O)C
Synonyms: Inulicin; 1-O-Acetylbritannilactone; 33627-41-7; Britannilactone 1-O-acetate; (S)-4-((3aS,4S,7aR)-4-Hydroxy-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydrobenzofuran-5-yl)pentyl acetate; 1-O-Acetyl britannilactone; Acetylbritannilactone; CHEMBL3596684; …
Botanical Source: Inulae flos