Gitoformatum
[3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] formate
| Molecular Formula | C46H64O19 |
|---|---|
| Molecular Weight | 921.0 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 233.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Exact Mass | 920.4042 |
| Heavy Atoms | 65 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 7685-23-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O |
| InChIKey | DOMHWKQEPDYUQX-UHFFFAOYSA-N |
📖 Product Overview
Gitoformatum (CAS: 7685-23-6) is a chemical compound with molecular formula C46H64O19 and molecular weight 921.0 g/mol. Its IUPAC systematic name is [3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] formate.
DOMHWKQEPDYUQX-UHFFFAOYSA-N.
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O.
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