5-O,12-didemethyl-12-ethyl-22,23-dihydroavermectin A1a

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H76O14
Molecular Weight	889.1193
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-O,12-didemethyl-12-ethyl-22,23-dihydroavermectin A<SUB>1a</SUB>

Structure Search

SMILES

CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](CC)\C=C\C=C6/CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]67O)O2

InChI

InChIKey=MVKGXKDHNMNRSB-AXSMDZIHSA-N

InChI=1S/C49H76O14/c1-11-26(3)43-28(5)18-19-48(63-43)24-35-21-34(62-48)17-16-27(4)44(60-40-23-38(55-10)45(31(8)58-40)61-39-22-37(54-9)42(51)30(7)57-39)32(12-2)14-13-15-33-25-56-46-41(50)29(6)20-36(47(52)59-35)49(33,46)53/h13-16,20,26,28,30-32,34-46,50-51,53H,11-12,17-19,21-25H2,1-10H3/b14-13+,27-16+,33-15+/t26-,28-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42-,43+,44+,45-,46+,48+,49+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

12-demethyl-12-ethyl-H2B1a

Preferred Name

English

5-O,12-didemethyl-12-ethyl-22,23-dihydroavermectin A1a

Systematic Name

English

IVERMECTIN IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

75V9K3CQY3

Created by admin on Wed Apr 02 13:15:09 GMT 2025 , Edited by admin on Wed Apr 02 13:15:09 GMT 2025

PRIMARY

SUBSTANCE RECORD


					75V9K3CQY3

5-O,12-didemethyl-12-ethyl-22,23-dihydroavermectin A1a