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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H58N2O10S
Molecular Weight 758.961
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of IEJIMALIDE C FREE ACID

SMILES

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

InChI

InChIKey=AFBHYGZBQNWUPX-MDFWTKNVSA-N
InChI=1S/C40H58N2O10S/c1-29-13-11-17-35(49-7)16-10-9-15-33(5)39(52-38(44)24-22-30(2)19-20-31(3)25-36(50-8)18-12-14-29)34(6)23-21-32(4)26-41-40(45)37(42-28-43)27-51-53(46,47)48/h9-10,12-16,19-25,28,30,33,35-37,39H,11,17-18,26-27H2,1-8H3,(H,41,45)(H,42,43)(H,46,47,48)/b14-12+,15-9+,16-10+,20-19+,24-22+,29-13-,31-25+,32-21+,34-23+/t30-,33+,35-,36+,37+,39+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
IEJIMALIDE C FREE ACID
Common Name English
IEJIMALIDE C ACID, (-)-
Systematic 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-TETRAMETHYL-24-OXOOXACYCLOTETRACOSA-4,6,11,13,17,19,22-HEPTAEN-2-YL)-2-METHYL-2,4-HEXADIEN-1-YL)-2-(FORMYLAMINO)-3-(SULFOOXY)-, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
16757110
Created by admin on Sat Dec 16 11:43:41 GMT 2023 , Edited by admin on Sat Dec 16 11:43:41 GMT 2023
PRIMARY
FDA UNII
3FUJ1C63GX
Created by admin on Sat Dec 16 11:43:41 GMT 2023 , Edited by admin on Sat Dec 16 11:43:41 GMT 2023
PRIMARY
CAS
708203-73-0
Created by admin on Sat Dec 16 11:43:41 GMT 2023 , Edited by admin on Sat Dec 16 11:43:41 GMT 2023
PRIMARY