Alliacol B
4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one
Also Known As: Alliacol B|TN8982|4-(Hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one|5-(hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8h-oxireno[1,7a]indeno[3a,4-b]furan-6(2h)-one|8H-Oxireno(1,7a)indeno(3a,4-b)furan-6(2H)-one, 3,4,9,9a-tetrahydro-5-(hydroxymethyl)-2,9,9-trimethyl-, (2R-(1aR*,2alpha,7aS*,9aalpha))-
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.13617 g/mol |
| LogP | 1.57 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 520.2 |
Chemical Identifiers
| CAS Number | 79232-33-0 |
|---|---|
| SMILES | CC1CCC2=C(C(=O)OC23C14C(O4)C(C3)(C)C)CO |
Product Overview
Alliacol B (CAS 79232-33-0), with molecular formula C15H20O4 and molecular weight 264.13617 g/mol. IUPAC: 4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one.
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