AC1L64I1
[(1S,2S,5S,7S,9R,11R,12R,14S,16R,17R)-2-formyl-17-methyl-16-(5-oxo-2H-furan-3-yl)-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadecan-5-yl] acetate
Also Known As: KST-1A2015|sodium,3-hydroxy-2-(1-hydroxyethyl)butan-1-olate|(3|A,5|A,6|A,14|A,15|A)-3-(acetyloxy)-19-oxo-5,6:14,15-diepoxycard-20(22)-enolide
CAS: 17364-68-0
| Molecular Formula | C25H30O7 |
|---|---|
| Molecular Weight | 442.19916 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.19916 |
| Monoisotopic Mass | 442.19916 |
| Heavy Atoms | 32 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 17364-68-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](C[C@H]5[C@]4([C@@H]3C[C@@H]6[C@@]2(C1)O6)O5)C7=CC(=O)OC7)C)C=O |
| InChIKey | RWYNJBPCAXEGHC-QXYKFGKMSA-N |
Product Overview
AC1L64I1 (CAS 17364-68-0), with molecular formula C25H30O7 and molecular weight 442.19916 g/mol. IUPAC: [(1S,2S,5S,7S,9R,11R,12R,14S,16R,17R)-2-formyl-17-methyl-16-(5-oxo-2H-furan-3-yl)-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadecan-5-yl] acetate.
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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