Controlled |
No |
Parent API |
Avermectin |
Smileys |
CCC(C1C(C)CCC2(CC3CC(C/C=C(C)/C(OC4CC(OC)C(OC5CC(OC)C(O[Si](C)(C(C)(C)C)C)C(C)O5)C(C)O4)C(/C=C/C=C6C(OC7C\6(O)C(C(O3)=O)C=C(C)C7O[Si](C)(C(C)(C)C)C)=O)C)O2)O1)C |
Canonical Smiles |
CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4C(=O)OC5C4(C(C=C(C5O[Si](C)(C)C(C)(C)C)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O[Si](C)(C)C(C)(C)C)OC)OC)C)C |
InchIKey |
QBKLEHASORZTDT-PSWWKLHESA-N |
Inchl |
InChI=1S/C60H100O15Si2/c1-21-34(2)50-37(5)27-28-59(73-50)33-42-30-41(72-59)26-25-36(4)49(69-47-31-45(64-15)52(39(7)66-47)70-48-32-46(65-16)53(40(8)67-48)75-77(19,20)58(12,13)14)35(3)23-22-24-43-55(61)71-54-51(74-76(17,18)57(9,10)11)38(6)29-44(56(62)68-42)60(43,54)63/h22-25,29,34-35,37,39-42,44-54,63H,21,26-28,30-33H2,1-20H3/t34-,35-,37-,39-,40-,41+,42-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,59+,60+/m0/s1 |
IUPAC |
(1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21-[tert-butyl(dimethyl)silyl]oxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-24-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione |
Hazardous |
No
|