Name: Ivermectin B1a aglycone
Rating: 5 (10 reviews)

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HIT ID:HIT214320737
Cas No:73162-95-5
常用名:Ivermectin B1a aglycone
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
InChI key:XOCXXEYUGYTCNG-NKZLQOEASA-N

分子式:C34H50O8
分子量:586.766
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OC\C3=C\C=C/[C@H](C)[C@H](O)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:6,13,t:4,42|
SMILES:[H][C@@]12OC\C3=C\C=C/[C@H](C)[C@H](O)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |c:6,13,t:4,42|

Ivermectin B1a aglycone is an acid degradation product produced by hydrolysis of the disaccharide unit of ivermectin. It can inhibit nematode larval development, but does not cause paralytic activity.

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