Ivermectin B1 Aglycon

CAS
73162-95-5
Catalog Number
ACM73162955
Category
COVID-19 Drug Raw Materials
Molecular Weight
586.76
Molecular Formula
C34H50O8

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Specification

Synonyms
(6R,13S,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-13-hydroxy-25-[(1S)-1-methylpropyl]-milbemycin B
IUPAC Name
(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24S)-6'-[(2S)-butan-2-yl]-12,21,24-trihydroxy-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)C
InChI
InChI=1S/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10?/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
InChI Key
XOCXXEYUGYTCNG-AFVSOJIRSA-N
Melting Point
149-154 °C
Appearance
White to Pale Yellow Solid
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