Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-
PubChem CID: 78385431
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| Compound Synonyms | 9-Acetoxyfukinanolide, 35945-70-1, (3a,4-dimethyl-4'-methylidene-2'-oxospiro(3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane)-1-yl) acetate, (3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate, Spiro(furan-3(2H),2'-(2H)inden)-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-, Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)-, DTXSID601105992, Spiro[furan-3(2H),2a(2)-[2H]inden]-2-one, 1a(2)-(acetyloxy)decahydro-3a(2)a,4a(2)-dimethyl-4-methylene-, (1a(2)R,2a(2)R,3a(2)aR,4a(2)S,7a(2)aS)- |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Petasites japonicus (sweet coltsfoot). 9-Acetoxyfukinanolide is found in giant butterbur and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C17H24O4 |
| Inchi Key | ZZZDGYZKGIPSPD-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 9-Acetoxyfukinanolide, 7,7a-Dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-3-yl acetic acid |
| Compound Name | Spiro[furan-3(2H),2'-[2H]inden]-2-one, 1'-(acetyloxy)decahydro-3'a,4'-dimethyl-4-methylene-, (1'R,2'R,3'aR,4'S,7'aS)- |
| Kingdom | Organic compounds |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3 |
| Smiles | CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Terpene lactones |
- 1. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:fooddb_chem_all