(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

Catalog No. :
ACZMER491
CAS No. :
96722-46-2
Molecular Formula :
C48H72O15
Molecular Weight :
889.09

IUPAC Name:(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

(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 structure diagram
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Product Information

Product Name(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
IUPAC Name(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
Molecular FormulaC48H72O15
Molecular Weight889.09
SMILESCC[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
InChI KeyORIHAMOZRDYFCM-UIPRHDOASA-N
Synonym8a hydroxy-avermectin B1a;5-O-demethyl-28-hydroxy-Avermectin A1a;Avermectin A1a, 5-O-demethyl-28-hydroxy- (9CI);Doxapram Impurity 11
CAS No.96722-46-2

Synthetic Route by SureRoute

1. ACZMER491 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACZMER491 route product structure diagram
    ACZMER49196722-46-2
Inquiry

2. ACZMER491 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACZMER491 route product structure diagram
    ACZMER49196722-46-2
Inquiry

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