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

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H60N2O7
Molecular Weight 692.9243
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of IEJIMALIDE B

SMILES

CO[C@H]1CCC=C(C)\C=C\C[C@H](OC)\C=C(C)\C=C\[C@@H](C)\C=C(C)\C(=O)O[C@@H]([C@@H](C)\C=C\C=C\1)C(\C)=C\C=C(/C)CNC(=O)[C@H](CO)NC=O

InChI

InChIKey=YVOFDUHVTLZRBY-CLRFZDQZSA-N
InChI=1S/C41H60N2O7/c1-29-14-12-18-36(48-8)17-11-10-16-33(5)39(34(6)23-22-32(4)26-42-40(46)38(27-44)43-28-45)50-41(47)35(7)24-30(2)20-21-31(3)25-37(49-9)19-13-15-29/h10-11,13-17,20-25,28,30,33,36-39,44H,12,18-19,26-27H2,1-9H3,(H,42,46)(H,43,45)/b15-13+,16-10+,17-11+,21-20+,29-14-,31-25+,32-22+,34-23+,35-24+/t30-,33+,36-,37+,38+,39+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
IEJIMALIDE B, (-)-
Preferred Name English
IEJIMALIDE B
Common Name English
PROPANAMIDE, N-((2E,4E)-5-((2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-DIMETHOXY-3,12,18,21,23-PENTAMETHYL-24-OXOOXACYCLOTETRACOSA-4,6,11,13,17,19,22-HEPTAEN-2-YL)-2-METHYL-2,4-HEXADIEN-1-YL)-2-(FORMYLAMINO)-3-HYDROXY-, (2S)-
Systematic Name English
NSC-727699
Code English
Code System Code Type Description
NSC
727699
Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID701098118
Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025
PRIMARY
FDA UNII
7AT5FEX4Z8
Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025
PRIMARY
PUBCHEM
10985331
Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025
PRIMARY
CAS
117582-92-0
Created by admin on Tue Apr 01 16:51:23 GMT 2025 , Edited by admin on Tue Apr 01 16:51:23 GMT 2025
PRIMARY