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

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H75NO13
Molecular Weight 886.1187
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMAMECTIN B1A

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@]([H])(O[C@@]5([H])C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]6([H])C[C@@]([H])(C[C@]7(O6)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C7)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=CXEGAUYXQAKHKJ-COFQVFHOSA-N
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,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
EMAMECTIN B1A
MI  
Common Name English
L-656748
Code English
EMAMECTIN B1A [MI]
Common Name English
4''-DEOXY-4''-EPI-(METHYLAMINO)AVERMECTIN B1A
Common Name English
L 656748
Code English
4''-EPI-(METHYLAMINO)-4''-DEOXYAVERMECTIN B1A
Common Name English
EMAMECTIN COMPONENT B1A
Common Name English
(4''R)-5-O-DEMETHYL-4''-DEOXY-4''-(METHYLAMINO)AVERMECTIN A1A
Common Name English
AVERMECTIN A1A, 5-O-DEMETHYL-4''-DEOXY-4''-(METHYLAMINO)-, (4''R)-
Common Name English
Code System Code Type Description
SMS_ID
300000024099
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY
MERCK INDEX
m4882
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY Merck Index
PUBCHEM
11136686
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID80153164
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY
FDA UNII
IX4GP7848F
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY
CAS
121124-29-6
Created by admin on Fri Dec 15 17:12:36 GMT 2023 , Edited by admin on Fri Dec 15 17:12:36 GMT 2023
PRIMARY