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

CAS

82590-57-6

Catalog Number

ACM82590576

Category

COVID-19 Drug Raw Materials

Molecular Weight

1103.61

Molecular Formula

C60H102O14Si2

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-one

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=C4CO[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/C60H102O14Si2/c1-21-35(2)51-38(5)27-28-59(72-51)33-44-30-43(71-59)26-25-37(4)50(36(3)23-22-24-42-34-65-55-52(73-75(17,18)57(9,10)11)39(6)29-45(56(61)68-44)60(42,55)62)69-48-31-46(63-15)53(40(7)66-48)70-49-32-47(64-16)54(41(8)67-49)74-76(19,20)58(12,13)14/h22-25,29,35-36,38,40-41,43-55,62H,21,26-28,30-34H2,1-20H3/t35-,36-,38-,40-,41-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52+,53-,54-,55+,59+,60+/m0/s1

InChI Key

QRHLRZMYYBVKQI-VXKBOFGASA-N

Appearance

White to pale yellow solid