Basic information
- CAS
67083-56-1- Standard SMILES
CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1- InChIKey
ITMKVWJTHUXBLD-UHFFFAOYSA-N- Molecular formula
- C34H30O17
- Average molar mass
- 710.6 g/mol
- Monoisotopic mass
- 710.14829948
Overview
(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)phenoxy)-, hexaacetate has been reported in Cystoseira baccata with data available.
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)phenoxy)-, hexaacetate
- IUPAC
- [3-acetyloxy-5-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenyl] acetate
Names & synonyms
(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)phenoxy)-, hexaacetate67083-56-1DTXSID80217391[3-acetyloxy-5-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenyl] acetate(3-acetyloxy-5-(2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy)phenyl) acetateRefChem:68028DTXCID801398823-[3,5-Bis(acetyloxy)phenoxy][1,1'-biphenyl]-2,2',4,4',6,6'-hexayl hexaacetate
Database identifiers
- CAS
67083-56-1- PubChem CID
- 3085355
- DTXSID
DTXSID80217391
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 19
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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