Agn-PC-0LP4KQ
[3-acetyloxy-14-[2-(3,6-diacetyloxy-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: AGN-PC-0LP4KQ|14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate
| Molecular Formula | C48H70O15 |
|---|---|
| Molecular Weight | 886.4715 g/mol |
| LogP | 3.3871 |
| Topological Polar Surface Area | 240.49 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 886.4715 |
| Monoisotopic Mass | 886.4715 |
| Heavy Atoms | 63 |
| Complexity | 1962.7479 |
Chemical Identifiers
| CAS Number | 7231-98-3 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)OC(=O)C)O)C(=O)C4CCC5(C6CC(C7C8(CCC(C(C8C(C(C7(C6)C5=O)O)OC(=O)C)(C)C)OC(=O)C)C)O)O)O)C |
Product Overview
Agn-PC-0LP4KQ (CAS 7231-98-3), with molecular formula C48H70O15 and molecular weight 886.4715 g/mol. IUPAC: [3-acetyloxy-14-[2-(3,6-diacetyloxy-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
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