[3,5-Diacetoxy-4-[3,5-diacetoxy-4-(3,4,5-triacetoxyphenoxy)phenoxy]phenyl] acetate
Basic information
- CAS
51318-78-6- Standard SMILES
CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1- InChIKey
FXVSSYLCUMZXFK-UHFFFAOYSA-N- Molecular formula
- C34H30O18
- Average molar mass
- 726.6 g/mol
- Monoisotopic mass
- 726.1432141
Overview
NSC631354 has been reported in Sargassum muticum, Carpophyllum angustifolium, and other organisms with data available.
Names & identifiers
- Preferred name
- [3,5-Diacetoxy-4-[3,5-diacetoxy-4-(3,4,5-triacetoxyphenoxy)phenoxy]phenyl] acetate
- IUPAC
- [3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenyl] acetate
Names & synonyms
NSC63135451318-78-6NSC 235173DTXSID80311000NSC235173NSC-235173NSC-631354[3,5-diacetoxy-4-[3,5-diacetoxy-4-(3,4,5-triacetoxyphenoxy)phenoxy]phenyl] acetate2-{3,5-Bis(acetyloxy)-4-[3,4,5-tris(acetyloxy)phenoxy]phenoxy}benzene-1,3,5-triyl triacetate3-(Acetyloxy)-5-(2,4,6-tris(acetyloxy)phenoxy)-2-(3,4,5-tris(acetyloxy)phenoxy)phenyl acetate
Database identifiers
- CAS
51318-78-6- PubChem CID
- 314880
- DTXSID
DTXSID80311000- Nikkaji
- J442.135C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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