5-O-Demethyl-3,4,22,23-tetrahydro-avermectin A1a

• Catalog Number: ACM74567014
• Product Name: 5-O-Demethyl-3,4,22,23-tetrahydro-avermectin A1a
• CAS: 74567-01-4
• Category: COVID-19 Drug Raw Materials
• Synonyms: 3,4-Dihydro Ivermectin (Mixture of Diastereomers)
• IUPAC Name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,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-triene-6,2'-oxane]-2-one
• Molecular Weight: 877.11
• Molecular Formula: C48H76O14
• 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=C/4\CO[C@H]5[C@@]4([C@@H](CC([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/C48H76O14/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/h12-15,25-26,28-31,33-45,49-50,52H,11,16-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,29?,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
• InChI Key: ACNNVMSFKOFXPD-LMGLRRKJSA-N
• Melting Point: 153-158 °C
• Appearance: White to off-white solid