NSC326127
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
Also Known As: BERBERINE DERIV JCI 2221|8,9,10-trimethoxy-13-oxo-5,6,8,13-tetrahydro-8,13a-etheno-[1|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|Dimethyl 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
| Molecular Formula | C27H25NO10 |
|---|---|
| Molecular Weight | 523.1478 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1478 |
| Monoisotopic Mass | 523.1478 |
| Heavy Atoms | 38 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 70866-40-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C34C5=CC6=C(C=C5CCN3C2(C(=C4C(=O)OC)C(=O)OC)OC)OCO6)OC |
| InChIKey | DZEXIKSFLNUPAM-UHFFFAOYSA-N |
Product Overview
NSC326127 (CAS 70866-40-9), with molecular formula C27H25NO10 and molecular weight 523.1478 g/mol. 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.
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