Linifolin A
Basic information
- CAS
5988-99-8- Standard SMILES
C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@H]12- InChIKey
DCNRYQODUSSOKC-JKSXDGAISA-N- Molecular formula
- C17H20O5
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.13107373
Overview
Linifolin A is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- Linifolin A
- IUPAC
- [(3aS,5R,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
Names & synonyms
Linifolin A5988-99-8PF 57NSC 153859[(3aS,5R,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetateAzuleno(6,50b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-[(3aS,5R,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate((3aS,5R,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno(6,5-b)furan-9-yl) acetate((3aS,5R,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno(6,5-b)furan-9-yl) acetate(3AR,4R,4ar,7as,8R,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,7ah,8H,9H,9ah-azuleno(6,5-b)furan-4-yl acetic acid(3AR,4R,4ar,7as,8R,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3ah,4H,4ah,5H,7ah,8H,9H,9ah-azuleno[6,5-b]furan-4-yl acetic acidRefChem:153538
Show more names
Linifoline ACHEMBL270297AC1L9CIZCHEBI:6478orb1696455PF57GLXC-22904AKOS040752585
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 604
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Compound notes
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