(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate
PubChem CID: 78384665
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| Compound Synonyms | (3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate, 6-Acetylfuranofukinol, CHEBI:168723, (6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) acetate |
|---|---|
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Petasites japonicus (sweet coltsfoot). 6-Acetylfuranofukinol is found in giant butterbur and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl) acetate |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C17H24O4 |
| Inchi Key | CXZIQFLLAXJLDS-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | (3b,6b)-Furanoeremophilane-3,6-diol 6-acetate, 6-Acetylfuranofukinol, (3b,6b)-Furanoeremophilane-3,6-diol 6-acetic acid, (3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetic acid, (3Β,6β)-furanoeremophilane-3,6-diol 6-acetate, (3Β,6β)-furanoeremophilane-3,6-diol 6-acetic acid, 6-Hydroxy-3,4a,5-trimethyl-4H,4ah,5H,6H,7H,8H,8ah,9H-naphtho[2,3-b]furan-4-yl acetic acid |
| Compound Name | (3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate |
| Kingdom | Organic compounds |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C17H24O4/c1-9-8-20-14-7-12-5-6-13(19)10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12-13,16,19H,5-7H2,1-4H3 |
| Smiles | CC1C(CCC2C1(C(C3=C(C2)OC=C3C)OC(=O)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:fooddb_chem_all