3'-O-Decarbamoylirumamycin
11-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
Also Known As: 3'-O-Decarbamoylirumamycin
CAS: 99486-52-9
| Molecular Formula | C40H64O11 |
|---|---|
| Molecular Weight | 720.4449 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 720.4449 |
| Monoisotopic Mass | 720.4449 |
| Heavy Atoms | 51 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 99486-52-9 |
|---|---|
| SMILES | CCC(=O)C1(C(O1)C(C)CC(C)C2C(C(C(C=CC(CCCC=C(C3C(=CCC(O3)(CC(=O)O2)O)C)C)OC4CC(C(C(O4)C)O)O)C)O)C)C |
| InChIKey | AROPDQZOMIITCK-UHFFFAOYSA-N |
Product Overview
3'-O-Decarbamoylirumamycin (CAS 99486-52-9), with molecular formula C40H64O11 and molecular weight 720.4449 g/mol. IUPAC: 11-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one.
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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