Basic information
- CAS
1217666-83-5- Standard SMILES
COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC(C)=O- InChIKey
NCPWTKPCODRISL-UHFFFAOYSA-N- Molecular formula
- C23H22O10
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 458.12129689
Names & identifiers
- Preferred name
- 4-(5a-Methoxy-8-oxo-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)-2,6-dimethoxyphenyl acetate
- IUPAC
- [2,6-dimethoxy-4-(3-methoxy-6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-8-yl)phenyl] acetate
- English name
- 4-(5a-Methoxy-8-oxo-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)-2,6-dimethoxyphenyl acetate
- Molecular weight
- 0
Names & synonyms
NSC6655004-(5a-Methoxy-8-oxo-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)-2,6-dimethoxyphenyl acetateNeuro_000393CHEMBL2000469SCHEMBL19419812AKOS024419427NSC-665500NCI60_022598[2,6-dimethoxy-4-[methoxy(oxo)[?]yl]phenyl] acetate
Database identifiers
- CAS
1217666-83-5- PubChem CID
- 380102
- ChEMBL
CHEMBL2000469- EC Number
- 148-722-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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