HuagongsheHuagongshe Chemistry Print Report · For research reference only
Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq]
8a-oxo-avermectin B1a · Avermectin 8-oxo Impurity · Ivermectin 8a Oxo Impurity · Ivermectin 8a-oxo-H2B1a Impurity · 22,23-dihydro-8a-oxoavermectin B1 · 5-O-Demethyl-28-oxo-Avermectin A1a · Avermectin A1a, 5-O-demethyl-28-oxo- (9CI) · Ivermectin 8a-oxo-H2B1aQ: What is Ivermectin 8a-oxo-H2B1a Q: What is the CAS Number of Ivermectin 8a-oxo-H2B1a Q: What is the storage condition of Ivermectin 8a-oxo-H2B1a
![Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq] molecular structure](/img/chemical/165363695.png)
Identifiers & Physical Properties
| CAS No. | 102190-68-1 |
|---|---|
| Molecular formula | C48H70O15 |
| Average molar mass | 887.1 g/mol |
| Monoisotopic mass | 886.47147154 g/mol |
| SMILES | CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\C(=O)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |
| InChIKey | XDZJLYBYTBXNKA-NZWFHOADSA-N |
| PubChem CID | 165363695 |
| DTXSID | DTXSID601029685 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 187 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 8 |
| Heavy atoms | 63 |
| Formal charge | 0 |
| Complexity | 1,810 |
| Boiling point | 981.5±65.0 °C(Predicted) |
| Density | 1.27±0.1 g/cm3(Predicted) |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 10.85±0.70(Predicted) |
| Physical state | Solid |
| Color | Pale Yellow to Light Yellow |
| GHS pictogram | GHS09 |
| Signal word | Warning |
| GHS hazard statements | H410 |
| GHS precautionary statements | P273-P391-P501 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS09 |
| GHS hazard statements | H410 |
| GHS precautionary statements | P273-P391-P501 |
Applications & Uses
Uses
5-O-Demethyl-28-oxo-Avermectin A1a is a derivatie of Ivermectin (I940800), which is a semi-synthetic derivative of Abamectin. An invitro inhibitor of SARS-CoV-2/ Covid-19.