Didrovaltrate
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.5 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 18296-45-2 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C |
| InChIKey | PHHROXLDZHUIGO-PNBTUHDLSA-N |
📖 Product Overview
Didrovaltrate (CAS: 18296-45-2) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.5 g/mol. Its IUPAC systematic name is [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate.
PHHROXLDZHUIGO-PNBTUHDLSA-N.
SMILES: CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C.
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