Basic information
- Standard SMILES
CC(=O)Oc1ccc(C=Cc2cc(OC(C)=O)cc(OC(C)=O)c2)cc1- InChIKey
PDAYUJSOJIMKIS-UHFFFAOYSA-N- Molecular formula
- C20H18O6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1103383
Names & identifiers
- Preferred name
- Resveratrol triacetate
- IUPAC
- [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] acetate
- English name
- (E)-5-(4-Acetoxystyryl)-1,3-phenylene diacetate
- Molecular formula
- C20H18O6
- Molecular weight
- 354.35
Names & synonyms
resveratrol triacetateDTXSID30873906RefChem:379249DTXCID20101209854443-64-0Acetyl Resveratrol1,3-Benzenediol, 5-[2-[4-(acetyloxy)phenyl]ethenyl]-, diacetateKBio2_004519Spectrum_001471SpecPlus_000335Spectrum2_001632Spectrum3_001822
Show more names
5-(4-Acetoxystyryl)-1,3-phenylene diacetate(E)-5-(4-Acetoxystyryl)-1,3-phenylene diacetate1,3-Benzenediol, 5-[2-[4-(acetyloxy)phenyl]ethenyl]-, 1,3-diacetate
Spectrum4_001702KBioGR_002024KBioSS_001951DivK1c_006431SCHEMBL717980SPBio_001723KBio1_001375KBio2_001951
Database identifiers
- CAS
54443-64-0- PubChem CID
- 3935161
- DTXSID
DTXSID30873906
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Melting point
- 178 · 178-179 °C
- Boiling point
- 504.8 · 504.8±50.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform, Dichloromethane, Ethyl Acetate
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesIntermediate in the preparation of cis Resveratrol metabolite.
Suppliers4 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
Additional notes
DefinitionChEBI: Acetic acid [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] ester is a stilbenoid.
Related reactions
6 records
Linked notes
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