CID9987226

(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21'-[tert-butyl(dimethyl)silyl]oxy-12',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Also Known As: J2.023.866F|F6170-0161|(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21'-[(tert-butyldimethylsilyl)oxy]-12',24'-dihydroxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one|(1R,2S,4S,5S,6R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6-[(2S)-butan-2-yl]-21-[(tert-butyldimethylsilyl)oxy]-12,24-dihydroxy-5,11,13,22-tetramethyl-5,6-dihydro-3,7,19-trioxaspiro[pyran-2,6-tetracyclo[15.6.1.1,.0(2),(2)]pentacosane]-10,14,16,22-tetraen-2-one|13-O-Des[2-deoxy-3-O-methyl-4-O-(2-deoxy-3-O-methyl-alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-5-O-demethyl-5-O-(tert-butyldimethylsilyl)avermectin A1a

Molecular Formula	C40H62O8Si
Molecular Weight	698.4214 g/mol
LogP	7.3367
Topological Polar Surface Area	103.68 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	698.4214
Monoisotopic Mass	698.4214
Heavy Atoms	49
Complexity	1388.4253

Chemical Identifiers

CAS Number	73162-84-2
SMILES	CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O[Si](C)(C)C(C)(C)C)C)C(=O)O3)O)C)O)\C)C