Basic information
- CAS
25782-30-3- Standard SMILES
COc1cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c2c(OC(C)=O)c1OC(C)=O- InChIKey
SEYUHKMAZTWYIC-UHFFFAOYSA-N- Molecular formula
- C24H20O11
- Average molar mass
- 484.4 g/mol
- Monoisotopic mass
- 484.10056145
Names & identifiers
- Preferred name
- Pedalitin tetraacetate
- IUPAC
- [2-acetyloxy-4-(5,6-diacetyloxy-7-methoxy-4-oxochromen-2-yl)phenyl] acetate
- English name
- Pedalitintetraacetate
- Molecular formula
- C24H20O11
- Molecular weight
- 484.41
Names & synonyms
Pedalitin tetraacetate25782-30-3BRN 13374137-Methoxy-3',4',5,6-tetrahydroxyflavone tetraacetateDTXSID70180449FLAVONE, 3',4',5,6-TETRAHYDROXY-7-METHOXY-, TETRAACETATE4H-1-Benzopyran-4-one, 5,6-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-7-methoxy-2-[3,4-Bis(acetyloxy)phenyl]-7-methoxy-4-oxo-4H-1-benzopyran-5,6-diyl diacetatePedalitintetraacetate3',4',5,6-Tetraacetoxy-7-methoxyflavone4H-1-Benzopyran-4-one, 5,6-bis(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-7-methoxy-
Database identifiers
- CAS
25782-30-3- PubChem CID
- 33172
- DTXSID
DTXSID70180449- Nikkaji
- J90.396E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- Toxicity
- 100 mLg/plate · mic-sat 100 mLg/plate ENMUDM 3,401,1981
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mic-sat 100 mLg/plate ENMUDM 3,401,1981
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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