orb1701956
[9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
| Molecular Formula | C41H67NO16 |
|---|---|
| Molecular Weight | 830.0 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 219.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 829.446 |
| Heavy Atoms | 58 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 35775-82-7 |
|---|---|
| SMILES | CCC(=O)OC1CC(=O)OC(CC2C(O2)C=CC(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C |
| InChIKey | FFXJTOKFQATYBI-UHFFFAOYSA-N |
📖 Product Overview
orb1701956 (CAS: 35775-82-7) is a chemical compound with molecular formula C41H67NO16 and molecular weight 830.0 g/mol. Its IUPAC systematic name is [9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate.
FFXJTOKFQATYBI-UHFFFAOYSA-N.
SMILES: CCC(=O)OC1CC(=O)OC(CC2C(O2)C=CC(C(CC(C(C1OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C.
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