Account (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
- Catalog No. :
- ACDCNY089
- CAS No. :
- 113507-06-5
- Molecular Formula :
- C37H53NO8
- Molecular Weight :
- 639.83
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD00866560 |
| Molecular Formula | C37H53NO8 |
| Molecular Weight | 639.83 |
| SMILES | CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C |
| InChI Key | YZBLFMPOMVTDJY-CBYMMZEQSA-N |
| Synonym | (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol | Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S(E))- | AC-27773 | Cortisol 21-sulfate, 4-(14)C-labeled | MOXI |
| CAS No. | 113507-06-5 |
| PubChem CID | 9832912 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H410
- Precautionary Statement(s)
- P264-P270-P273-P301+P310+P330-P391-P405-P501
Synthetic Route by SureRoute
2. ACDCNY089 Molecular Building Block Synthetic Route
Ivermectin
(2R,2a'E,2a1'S,4'E,5S,6S,6'S,7'S,8'E,11'R,15'S,17a'R,20'Z,20a'R)-6-cyclohexyl-2a1'-hydroxy-7'-(((4S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-20'-(hydroxyimino)-5,6',8',19'-tetramethyl-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
(2R,2a'E,2a1'S,4'E,5S,6S,6'S,7'S,8'E,11'R,15'S,17a'R,20'Z,20a'R)-6-Cyclohexyl-2a1'-hydroxy-7'-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-20'-(hydroxyimino)-5,6',8',19'-tetramethyl-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