Microhelenin C
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylbut-2-enoate
Also Known As: Microhelenin C|BREVILIN A|(3S,3AR,4S,4AR,7AR,8R,9AR)-3,4A,8-TRIMETHYL-2,5-DIOXO-3H,3AH,4H,7AH,8H,9H,9AH-AZULENO[6,5-B]FURAN-4-YL (2Z)-2-METHYLBUT-2-ENOATE
CAS: 63569-07-3
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.178 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.178 |
| Monoisotopic Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 63569-07-3 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C |
| InChIKey | KUPPZVXLWANEJJ-QJWIRWAPSA-N |
Product Overview
Microhelenin C (CAS 63569-07-3), with molecular formula C20H26O5 and molecular weight 346.178 g/mol. IUPAC: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylbut-2-enoate.
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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