Graminiliatrin
[(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate
Also Known As: Graminiliatrin|[(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate|(2R,3'aR,4'R,6'aS,7'S,7'aR,8'aS,8'bS,8'cS)-7'-Hydroxy-8'a-methyl-3'-methylidene-2'-oxodecahydro-2'H-spiro[oxirane-2,6'-oxireno[2,3]azuleno[4,5-b]furan]-4'-yl (2Z)-4-(acetyloxy)-2-methylbut-2-enoate
| Molecular Formula | C22H26O9 |
|---|---|
| Molecular Weight | 434.15768 g/mol |
| LogP | 0.4425 |
| Topological Polar Surface Area | 124.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.15768 |
| Monoisotopic Mass | 434.15768 |
| Heavy Atoms | 31 |
| Complexity | 902.65765 |
Chemical Identifiers
| CAS Number | 53142-34-0 |
|---|---|
| SMILES | C/C(=C/COC(=O)C)/C(=O)O[C@@H]1C[C@]2(CO2)[C@H]3[C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)[C@]5([C@@H]([C@H]3O)O5)C |
Product Overview
Graminiliatrin (CAS 53142-34-0), with molecular formula C22H26O9 and molecular weight 434.15768 g/mol. IUPAC: [(1S,2S,6R,7R,9R,10S,11S,12R,14S)-11-hydroxy-14-methyl-5-methylidene-4-oxospiro[3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecane-9,2'-oxirane]-7-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate.
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