Cepacin B
5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one
Also Known As: Cepacin B|AC1L1KQC|orb3024315|J91.949G|4,5-Dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-2(3H)-furanone|2(5H)-Furanone, 5-((3'-(1,2-heptadiene-4,6-diynyl)(2,2'-bioxiran)-3-yl)hydroxymethyl)dihydro-|2(3H)-Furanone, 4,5-dihydro-5-(2,3:4,5-diepoxy-1-hydroxydodeca-6,7-dien-9,11-diynyl)-|5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one|5-[[3-[3-(1,2-Heptadiene-4,6-diynyl)oxiranyl]oxiranyl]hydroxymethyl]-3,4-dihydro-2(5H)-furanone|5-{[3'-(hepta-1,2-dien-4,6-diyn-1-yl)-[2,2'-bioxiran]-3-yl](hydroxy)methyl}oxolan-2-one
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08414 g/mol |
| LogP | -0.06 |
| Topological Polar Surface Area | 71.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 598.4 |
Chemical Identifiers
| CAS Number | 91682-94-9 |
|---|---|
| SMILES | C#CC#CC=C=CC1C(O1)C2C(O2)C(C3CCC(=O)O3)O |
Product Overview
Cepacin B (CAS 91682-94-9), with molecular formula C16H14O5 and molecular weight 286.08414 g/mol. IUPAC: 5-[[3-(3-hepta-1,2-dien-4,6-diynyloxiran-2-yl)oxiran-2-yl]-hydroxymethyl]oxolan-2-one.
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