Granaticin A
5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione
Also Known As: Granaticin A|Granatcin-A|tetrahydroxy(dimethyl)[?]trione|7,8,9,12-Tetrahydroxy-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,6,13-trione
CAS: 19879-06-2
| Molecular Formula | C22H20O10 |
|---|---|
| Molecular Weight | 444.10565 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 444.10565 |
| Monoisotopic Mass | 444.10565 |
| Heavy Atoms | 32 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 19879-06-2 |
|---|---|
| SMILES | CC1C2=C(C3C(O1)CC(=O)O3)C(=C4C(=C2O)C(=O)C5=C(C4=O)C6CC(C5(C(O6)C)O)O)O |
| InChIKey | ONQCWTVJMHJRFM-UHFFFAOYSA-N |
Product Overview
Granaticin A (CAS 19879-06-2), with molecular formula C22H20O10 and molecular weight 444.10565 g/mol. IUPAC: 5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione.
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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