Basic information
- CAS
56783-97-2- Standard SMILES
COC1=CC(=O)[C@@]2(Oc3cc(OC)cc(OC)c3C2=O)[C@H](C)C1- InChIKey
RFCKBUUKRORCHH-XLFHBGCDSA-N- Molecular formula
- C17H18O6
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.11033829
Names & identifiers
- Preferred name
- 4,4',6-Trimethoxy-6'-methyl-3'-grisen-2',3-dione
- IUPAC
- (2S,5'R)-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
- English name
- 4,4',6-TriMethoxy-6'-Methyl-3'-grisen-2',3-dione
- Molecular formula
- C17H18O6
- Molecular weight
- 318.32
Names & synonyms
56783-97-24,4',6-Trimethoxy-6'-methyl-3'-grisen-2',3-dione(2S,5'R)-3',4,6-Trimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione4,4',6-Trimethoxy-6'-methyl-spiro[benzofuran-2(3H),1'-[3]cyclohexene]-2',3-dioneDTXSID30858536(1'S,6'R)-4,4',6-Trimethoxy-6'-methyl-3H-spiro[[1]benzofuran-2,1'-cyclohex[3]ene]-2',3-dione(2S,6'R)-4,4',6-Trimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione4,4′,6-Trimethoxy-6′-methyl-3′-grisen-2′,3-dione, CAS 56783-97-2Spiro[benzofuran-2(3H),1'-[3]cyclohexene]-2',3-dione, 4,4',6-trimethoxy-6'-methyl-
Database identifiers
- CAS
56783-97-2- PubChem CID
- 71752811
- DTXSID
DTXSID30858536
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Melting point
- 79 · 79-83°C
- Boiling point
- 545.4 · 545.4±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesGriseofulvin (G787500) derivative.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…