MC 4 (lactone)
(7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: MC 4 (lactone)|(7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS: 81031-76-7
| Molecular Formula | C29H35NO9 |
|---|---|
| Molecular Weight | 541.2312 g/mol |
| LogP | 2.2381 |
| Topological Polar Surface Area | 145.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.2312 |
| Monoisotopic Mass | 541.2312 |
| Heavy Atoms | 39 |
| Complexity | 1324.3219 |
Chemical Identifiers
| CAS Number | 81031-76-7 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O |
Product Overview
MC 4 (lactone) (CAS 81031-76-7), with molecular formula C29H35NO9 and molecular weight 541.2312 g/mol. IUPAC: (7S,9R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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