Isopomiferin, dimethyl ether
Basic information
- CAS
7147-94-6- Standard SMILES
COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)C=C4)cc1OC- InChIKey
MIELJMQQHAVDFQ-UHFFFAOYSA-N- Molecular formula
- C27H28O6
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.18858861
Names & identifiers
- Preferred name
- Isopomiferin, dimethyl ether
- IUPAC
- 5-(3,4-dimethoxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13,17-pentaen-6-one
- English name
- ISOPOMIFERIN, DIMETHYL ETHER
- Molecular formula
- C27H28O6
- Molecular weight
- 448.51
Names & synonyms
Isopomiferin dimethyl etherISOPOMIFERIN, DIMETHYL ETHER7147-94-6Isopomiferin dimethyletherOGH0OO9DM5NSC21572UNII-OGH0OO9DM5NSC 21572NSC-2157211-(3,4-Dimethoxyphenyl)-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H,12H-dipyrano(2,3-f:2',3'-h)chromen-12-one11-(3,4-Dimethoxyphenyl)-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H,12H-dipyrano[2,3-f:2',3'-h]chromen-12-oneDTXSID30221685
Show more names
2H,6H,12H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one, 11-(3,4-dimethoxyphenyl)-3,4-dihydro-2,2,6,6-tetramethyl- (9CI)
(3,4-dimethoxyphenyl)-tetramethyl-[?]one11-(3,4-Dimethoxyphenyl)-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one2H,6H,12H-BENZO(1,2-B:3,4-B':5,6-B'')TRIPYRAN-12-ONE, 11-(3,4-DIMETHOXYPHENYL)-3,4-DIHYDRO-2,2,6,6-TETRAMETHYL-
Database identifiers
- CAS
7147-94-6- PubChem CID
- 228565
- DTXSID
DTXSID30221685- UNII
- OGH0OO9DM5
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 828
Physicochemical properties
- FDA UNII
- 0 OO9DM5 · OGH0OO9DM5
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Compound notes
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