2,4,10,12-Tetraoxadispiro(5.1.5.3)hexadec-14-ene-1,5,9,13-tetrone, 16-(2-furanyl)-3,3,11,11,14-pentamethyl-
Basic information
- CAS
130598-07-1- Standard SMILES
CC1=CC(c2ccco2)C2(CC13C(=O)OC(C)(C)OC3=O)C(=O)OC(C)(C)OC2=O- InChIKey
CUJSIVFTQXSBPP-UHFFFAOYSA-N- Molecular formula
- C21H22O9
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12638228
Names & identifiers
- Preferred name
- 2,4,10,12-Tetraoxadispiro(5.1.5.3)hexadec-14-ene-1,5,9,13-tetrone, 16-(2-furanyl)-3,3,11,11,14-pentamethyl-
- IUPAC
- 16-(furan-2-yl)-3,3,11,11,14-pentamethyl-2,4,10,12-tetraoxadispiro[5.1.58.36]hexadec-14-ene-1,5,9,13-tetrone
Names & synonyms
BRN 4772183130598-07-12,4,10,12-Tetraoxadispiro(5.1.5.3)hexadec-14-ene-1,5,9,13-tetrone, 16-(2-furanyl)-3,3,11,11,14-pentamethyl-RefChem:245466DTXSID6092681816-(Furan-2-yl)-3,3,11,11,14-pentamethyl-2,4,10,12-tetraoxadispiro[5.1.5~8~.3~6~]hexadec-14-ene-1,5,9,13-tetrone
Database identifiers
- CAS
130598-07-1- PubChem CID
- 3076262
- DTXSID
DTXSID60926818
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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