CAS 65195-52-0

(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20b-hydroxy-20-methoxy-5',6,8,19-tetramethyl-6'-(1-methylethyl)-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-p

Description:

The chemical substance with the name provided is a complex organic compound characterized by a unique multi-ring structure and multiple stereocenters, which contribute to its specific three-dimensional configuration. It features a spirocyclic framework, indicating the presence of fused ring systems that enhance its structural complexity. The compound contains various functional groups, including hydroxyl (-OH) and methoxy (-OCH3) groups, which can influence its solubility, reactivity, and biological activity. The presence of multiple methyl groups suggests potential hydrophobic characteristics, while the ketone functional group (indicated by the "17-oxo" descriptor) may play a role in its reactivity and interactions with biological targets. The stereochemistry, denoted by the specific configuration at various chiral centers, is crucial for determining the compound's pharmacological properties, as stereoisomers can exhibit significantly different biological activities. Overall, this compound's intricate structure and functional groups suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents.

Formula: C₄₈H₇₂O₁₄

InChI: InChI=1/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15-,32-14+/t26?,28?,30-,31-,33?,34?,35?,36-,37-,38-,39-,40-,41?,42?,43?,44-,45?,47?,48?/m0/s1

InChI key: InChIKey=MNRHCELBXZARFX-OVBDMLLUSA-N

SMILES: [C@H](C)(C)[C@H]1O[C@@]2(C[C@@]3(C[C@](O2)(C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C\6/[C@@]7(O)[C@](C(=O)O3)(C=C(C)[C@@H](OC)[C@]7(OC6)[H])[H])[H])[H])C=C[C@@H]1C

Synonyms:

• (2aE,4E,8Z)-20b-hydroxy-20-methoxy-5',6,8,19-tetramethyl-6'-(1-methylethyl)-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside
• 25-De(1-methylpropyl)-25-(1-methylethyl)avermectin A_1a
• Antibiotic C 076A_1b
• Avermectin A_1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
• Avermectin A_1b
• Spiro[11,15-methano-2H,7H,13H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A_1a deriv.
• Antibiotic C 076A1b
• Avermectin A1b
• Spiro[11,15-methano-2H,7H,13H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2′-[2H]pyran], avermectin A1a deriv.
• 25-De(1-methylpropyl)-25-(1-methylethyl)avermectin A1a
• Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
• Avermectin impurity 12

Avermectin A1b (>85%)

Controlled Product

CAS: 65195-52-0

Applications Avermectin A1b is part of a series of drugs that can be used for treating parasitic diseases in animals.
References Billi, M. et al.: Braz. Pedido PI, 15pp., (2013)

Formula: C₄₈H₇₂O₁₄

Purity: >85%

Color and Shape: Neat

Molecular weight: 873.08

Ref: TR-A847910

Avermectin a1b

CAS: 65195-52-0

Avermectin A1b is an antiparasitic compound, which is a macrocyclic lactone isolated from the soil bacterium *Streptomyces avermitilis*. This compound functions primarily by enhancing the release of gamma-aminobutyric acid (GABA) and binding to glutamate-gated chloride channels in nerve and muscle cells of parasites. This interaction leads to an increase in the permeability of cell membranes to chloride ions, resulting in paralysis and death of the parasite.

Formula: C₄₈H₇₂O₁₄

Purity: Min. 95%

Molecular weight: 873.1 g/mol

Ref: 3D-QCA19552

Avermectin A1a

CAS: 65195-52-0

Formula: C₄₈H₇₂O₁₄

Molecular weight: 873.09

Ref: 4Z-A-4223