Basic information
- CAS
70866-40-9- Standard SMILES
COC(=O)C1=C(C(=O)OC)C23C(=O)c4ccc(OC)c(OC)c4C1(OC)N2CCc1cc2c(cc13)OCO2- InChIKey
DZEXIKSFLNUPAM-UHFFFAOYSA-N- Molecular formula
- C27H25NO10
- Average molar mass
- 523.5 g/mol
- Monoisotopic mass
- 523.14784599
Names & identifiers
- Preferred name
- Dimethyl 14,16,17-trimethoxy-21-oxo-5,7-dioxa-13-azahexacyclo[12.7.2.01,13.02,10.04,8.015,20]tricosa-2,4(8),9,15(20),16,18,22-heptaene-22,23-dicarboxylate
- IUPAC
- dimethyl 14,16,17-trimethoxy-21-oxo-5,7-dioxa-13-azahexacyclo[12.7.2.01,13.02,10.04,8.015,20]tricosa-2,4(8),9,15(20),16,18,22-heptaene-22,23-dicarboxylate
Names & synonyms
NSC32612770866-40-9DTXSID10330880BERBERINE DERIV JCI 2221NSC-326127Dimethyl 8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-2H-8,13a-etheno[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-15,16-dicarboxylate
Database identifiers
- CAS
70866-40-9- PubChem CID
- 433246
- DTXSID
DTXSID10330880
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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