Structure

Ivermectin-D2

CAS
70288-86-7
Catalog Number
ACM70288867
Category
COVID-19 Drug Raw Materials
Molecular Weight
877.12
Molecular Formula
C48H72D2O14

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Specification

Synonyms
22,23-Dihydroavermectin B1-d2
IUPAC Name
(1R,4R,5'S,6R,6'S,8S,10Z,12S,13S,14Z,20R,21S,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2S,4S,5R,6S)-5-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-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)C/C=C(\[C@H]([C@H](/C=C\C=C4CO[C@H]5[C@@]4([C@@H](C=C([C@@H]5O)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)OC)OC)/C)C
InChI
InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12-,27-15-,32-14?/t25-,26-,28-,30-,31-,33-,34+,35-,36-,37-,38+,39+,40-,41+,42-,43-,44+,45+,47+,48+/m0/s1
InChI Key
AZSNMRSAGSSBNP-ZWNVPBOJSA-N
Appearance
White to Pale Beige Solid
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