5-O-Demethyl-4'',5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-22,23-dihydro-28-oxo-Avermectin A1a

CAS

102190-51-2

Catalog Number

ACM102190512

Category

COVID-19 Drug Raw Materials

Molecular Weight

1117.6

Molecular Formula

C60H100O15Si2

MSDS COA Spec Sheet

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Specification

Synonyms

Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran], Avermectin A1a Deriv.

IUPAC Name

(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

Canonical SMILES

CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4C(=O)O[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@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O[Si](C)(C)C(C)(C)C)OC)OC)C)C

InChI

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

InChI Key

QBKLEHASORZTDT-PSWWKLHESA-N

Appearance

White solid