(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate
Basic information
- CAS
67083-57-2- Standard SMILES
CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1- InChIKey
MKGRUJGANXYXJB-UHFFFAOYSA-N- Molecular formula
- C44H38O22
- Average molar mass
- 918.8 g/mol
- Monoisotopic mass
- 918.18547284
Overview
(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate has been reported in Cystophora torulosa and Cystoseira baccata with data available.
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate
- IUPAC
- [3-acetyloxy-5-[2,4-diacetyloxy-6-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenoxy]phenyl] acetate
Names & synonyms
(1,1'-Biphenyl)-2,2',4,4',6,6'-hexol, 3-(3,5-bis(acetyloxy)-2-(3,5-bis(acetyloxy)phenoxy)phenoxy)-, hexaacetate67083-57-2DTXSID40217392[3-acetyloxy-5-[2,4-diacetyloxy-6-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenoxy]phenyl] acetate(3-acetyloxy-5-(2,4-diacetyloxy-6-(2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy)phenoxy)phenyl) acetateRefChem:68027DTXCID401398833-{3,5-Bis(acetyloxy)-2-[3,5-bis(acetyloxy)phenoxy]phenoxy}[1,1'-biphenyl]-2,2',4,4',6,6'-hexayl hexaacetate
Database identifiers
- CAS
67083-57-2- PubChem CID
- 3085356
- DTXSID
DTXSID40217392- Nikkaji
- J937.150H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 25
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,760
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Compound notes
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