CID6443079
(2E,4E)-6-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid
Also Known As: Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4Z)))-|Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(E(2E,4E)))-|Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 15-(5-((5-carboxy-1-oxo-2,4-pentadienyl)oxy)-3-methyl-2-pentenoate), (4beta,15(Z(2E,4Z)))-
| Molecular Formula | C27H34O9 |
|---|---|
| Molecular Weight | 502.22028 g/mol |
| LogP | 2.64 |
| Topological Polar Surface Area | 131.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.22028 |
| Monoisotopic Mass | 502.22028 |
| Heavy Atoms | 36 |
| Complexity | 1033.8445 |
Chemical Identifiers
| CAS Number | 89015-92-9 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)COC(=O)/C=C(\C)/CCOC(=O)/C=C/C=C/C(=O)O |
Product Overview
CID6443079 (CAS 89015-92-9), with molecular formula C27H34O9 and molecular weight 502.22028 g/mol. IUPAC: (2E,4E)-6-[(E)-5-[(11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methoxy]-3-methyl-5-oxopent-3-enoxy]-6-oxohexa-2,4-dienoic acid.