AC1N1BRG
methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
Also Known As: KBio1_001121|methyl (2S)-2-[(1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0^{1,12.0^{3,8]heptadecan-7-yl]-2-hydroxyacetate|Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate|methyl 2-[13-(uran-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
| Molecular Formula | C27H34O8 |
|---|---|
| Molecular Weight | 486.22537 g/mol |
| LogP | 3.5331 |
| Topological Polar Surface Area | 112.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.22537 |
| Monoisotopic Mass | 486.22537 |
| Heavy Atoms | 35 |
| Complexity | 1088.6647 |
Chemical Identifiers
| CAS Number | 22255-07-8 |
|---|---|
| SMILES | CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)C(C(=O)OC)O)C |
Product Overview
AC1N1BRG (CAS 22255-07-8), with molecular formula C27H34O8 and molecular weight 486.22537 g/mol. IUPAC: methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate.
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