AC1L8V0A
[2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate
Also Known As: Spiro(2,2'-oxirane), trichothec-9-ene-3,8-dione deriv.|15-(Acetyloxy)-3,8-dioxo-12,13-epoxytrichothec-9-en-4-yl 2-methylprop-2-enoate|Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-ene-3,8-dione deriv.|[2-(Acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate|Trichothec-9-ene-3, 15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4.beta.)-
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.14713 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14713 |
| Monoisotopic Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 77620-58-7 |
|---|---|
| SMILES | CC1=CC2C(CC1=O)(C3(C(C(=O)C(C34CO4)O2)OC(=O)C(=C)C)C)COC(=O)C |
| InChIKey | BSXMZJFQPNFQQS-UHFFFAOYSA-N |
Product Overview
AC1L8V0A (CAS 77620-58-7), with molecular formula C21H24O8 and molecular weight 404.14713 g/mol. IUPAC: [2-(acetyloxymethyl)-1,5-dimethyl-4,10-dioxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] 2-methylprop-2-enoate.
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