Account Ivermectin
- Catalog No. :
- ACWVJK176
- CAS No. :
- 70288-86-7
- Molecular Formula :
- C48H74O14
- Molecular Weight :
- 875.11
IUPAC Name:(2R,3'S,5S,6R,7'R,11'S,12'S,15a1'S,17a'R,18'R,20a'R)-6-((R)-sec-butyl)-15a1',18'-dihydroxy-11'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,10',12',19'-tetramethyl-3,3',4,4',5,6,8',11',12',15a1',16',17a',18',20a'-tetradecahydro-1'H,7'H-spiro[pyran-2,5'-[3,7]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-1'-one
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Product Information
| Product Name | Ivermectin |
|---|---|
| IUPAC Name | (2R,3'S,5S,6R,7'R,11'S,12'S,15a1'S,17a'R,18'R,20a'R)-6-((R)-sec-butyl)-15a1',18'-dihydroxy-11'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,10',12',19'-tetramethyl-3,3',4,4',5,6,8',11',12',15a1',16',17a',18',20a'-tetradecahydro-1'H,7'H-spiro[pyran-2,5'-[3,7]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-1'-one |
| MDL No. | MFCD00869511 |
| Molecular Formula | C48H74O14 |
| Molecular Weight | 875.11 |
| SMILES | CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=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=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |
| InChI Key | AZSNMRSAGSSBNP-NQSNVJSVSA-N |
| Synonym | AKOS027470116 | AZSNMRSAGSSBNP-XPNPUAGNSA-N | CS-0108408 | HMS3712O14 | 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN | Dihydroavermectin B1a | Diethquinalphione | DTXSID8023181 | SCHEMBL761148 | 22,23-Dihydroavermectin B(1)a | AB00513813-02 | BDBM50409816 | av |
| CAS No. | 70288-86-7 |
| PubChem CID | 6321424 |
Synthetic Route by SureRoute
2. ACWVJK176 Molecular Building Block Synthetic Route
(2S,2a'E,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-Cyclohexyl-2a1',20'-dihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one
(2S,2a'Z,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-((S)-sec-butyl)-2',2a1',20'-trihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one
(2R,2a'E,2a1'S,4Z,4'E,5S,6S,6'R,8'E,11'R,15'S,17a'R,20'R,20a'R)-2a1',20'-Dihydroxy-4-(methoxyimino)-5,6',8',19'-tetramethyl-6-((E)-4-methylpent-2-en-2-yl)-2a1',3,4,5,6,6',7',10',11',14',15',17a',20',20a'-tetradecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one