28-Oxo Ivermectin B1a (Impurity)

CAS

102190-55-6

Catalog Number

ACM102190556

Category

COVID-19 Drug Raw Materials

Molecular Weight

889.08

Molecular Formula

C48H72O15

MSDS COA Spec Sheet

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Specification

Synonyms

5-O-Demethyl-22,23-dihydro-28-oxo-avermectin A1a

IUPAC Name

(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16Z,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-10,14,16,22-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)C/C=C(/[C@H]([C@H](/C=C/C=C/4\C(=O)O[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/C48H72O15/c1-11-24(2)42-27(5)17-18-47(63-42)23-32-20-31(62-47)16-15-26(4)41(59-38-22-36(55-10)43(30(8)57-38)60-37-21-35(54-9)40(50)29(7)56-37)25(3)13-12-14-33-45(51)61-44-39(49)28(6)19-34(46(52)58-32)48(33,44)53/h12-15,19,24-25,27,29-32,34-44,49-50,53H,11,16-18,20-23H2,1-10H3/b13-12+,26-15+,33-14+/t24-,25-,27-,29-,30-,31+,32-,34-,35-,36-,37-,38-,39+,40-,41-,42+,43-,44+,47+,48+/m0/s1

InChI Key

SOVJPRRDKZIUGJ-NZWFHOADSA-N

Appearance

White to off-white solid