UNDULATONE
(8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl) 2-methylbut-2-enoate
Also Known As: [(1S,4R,5R,6R,7S,8R,11S,12R,13S,17S,18S,19R)-8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate
CAS: 70993-77-0
| Molecular Formula | C27H34O11 |
|---|---|
| Molecular Weight | 534.2101 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.2101 |
| Monoisotopic Mass | 534.2101 |
| Heavy Atoms | 38 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 70993-77-0 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)OC(=O)C)C)O)C |
| InChIKey | VKCVPDRXEYKUOZ-UHFFFAOYSA-N |
Product Overview
UNDULATONE (CAS 70993-77-0), with molecular formula C27H34O11 and molecular weight 534.2101 g/mol. IUPAC: (8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl) 2-methylbut-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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