Tri-O-thymotide
5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
Also Known As: Tri-O-thymotide|Cyclic trilactone of o-thymotic acid|5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione|1,7,13-trimethyl-4,10,16-tri(propan-2-yl)-6H,12H,18H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione|4,10,16-triisopropyl-1,7,13-trimethyl-6H-tribenzo[b,f,j][1,5,9]trioxacyclododecine-6,12,18-trione|5,13,21-trimethyl-8,16,24-tris(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(20),4,6,8,12,14,16,21,23-nonaene-3,11,19-trione|6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin-6,12,18-trione, 1,7,13-trimethyl-4,10,16-tris(1-methylethyl)-|6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin-6,12,18-trione, 4,10,16-triisopropyl-1,7,13-trimethyl-
| Molecular Formula | C33H36O6 |
|---|---|
| Molecular Weight | 528.25116 g/mol |
| LogP | 7.95306 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 528.25116 |
| Monoisotopic Mass | 528.25116 |
| Heavy Atoms | 39 |
| Complexity | 1313.2625 |
Chemical Identifiers
| CAS Number | 4399-52-4 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C(C)C)OC(=O)C3=C(C=CC(=C3OC(=O)C4=C(C=CC(=C4OC2=O)C(C)C)C)C(C)C)C |
Product Overview
Tri-O-thymotide (CAS 4399-52-4), with molecular formula C33H36O6 and molecular weight 528.25116 g/mol. IUPAC: 5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione.
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