Acevaltrate
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
| Molecular Formula | C24H32O10 |
|---|---|
| Molecular Weight | 480.5 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 127.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 480.19955 |
| Heavy Atoms | 34 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 25161-41-5 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
| InChIKey | FWKBQAVMKVZEOT-STCFVSJZSA-N |
📖 Product Overview
Acevaltrate (CAS: 25161-41-5) is a chemical compound with molecular formula C24H32O10 and molecular weight 480.5 g/mol. Its IUPAC systematic name is [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate.
FWKBQAVMKVZEOT-STCFVSJZSA-N.
SMILES: CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C.
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