U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H72O15
Molecular Weight 889.0763
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-O-DEMETHYL-22,23-DIHYDRO-28-OXOAVERMECTIN A1A

SMILES

[H][C@@]12OC(=O)\C3=C/C=C/[C@H](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(C)=C\C[C@]6([H])C[C@@]([H])(C[C@]7(CC[C@H](C)[C@]([H])(O7)[C@@H](C)CC)O6)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=SOVJPRRDKZIUGJ-NZWFHOADSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
5-O-DEMETHYL-22,23-DIHYDRO-28-OXOAVERMECTIN A1A
Systematic Name English
IVERMECTIN IMPURITY D [EP IMPURITY]
Common Name English
28-OXO IVERMECTIN B1A IMPURITY
Common Name English
AVERMECTIN A1A, 5-O-DEMETHYL-22,23-DIHYDRO-28-OXO-
Systematic Name English
5-O-DEMETHYL-28-OXO-22,23-DIHYDROAVERMECTIN A1A
Systematic Name English
28-OXOH2B1A
Common Name English
Code System Code Type Description
FDA UNII
HA5BEU9C22
Created by admin on Sat Dec 16 19:00:10 GMT 2023 , Edited by admin on Sat Dec 16 19:00:10 GMT 2023
PRIMARY
CAS
102190-55-6
Created by admin on Sat Dec 16 19:00:10 GMT 2023 , Edited by admin on Sat Dec 16 19:00:10 GMT 2023
PRIMARY
PUBCHEM
131864858
Created by admin on Sat Dec 16 19:00:10 GMT 2023 , Edited by admin on Sat Dec 16 19:00:10 GMT 2023
PRIMARY