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Substance Name: Iejimalide D
RN: 133613-81-7
UNII: 7XJ01ME50T
InChIKey: TWZQFGHLZFJBOO-AFPZUSELSA-M

Molecular Formula

  • C41-H59-N2-O10-S.Na

Molecular Weight

  • 794.9771
 
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Names and Synonyms

Name of Substance

  • Iejimalide D

Synonyms

  • Iejimalide D
  • Iejimalide D, (-)-
  • 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-(sulfooxy)-, sodium salt (1:1), (2
  • UNII-7XJ01ME50T

Registry Numbers

CAS Registry Number

  • 133613-81-7

FDA UNII

  • 7XJ01ME50T

System Generated Number

  • 0133613817

Structure Descriptors

InChI

1S/C41H60N2O10S.Na/c1-29-14-12-18-36(50-8)17-11-10-16-33(5)39(34(6)23-22-32(4)26-42-40(45)38(43-28-44)27-52-54(47,48)49)53-41(46)35(7)24-30(2)20-21-31(3)25-37(51-9)19-13-15-29;/h10-11,13-17,20-25,28,30,33,36-39H,12,18-19,26-27H2,1-9H3,(H,42,45)(H,43,44)(H,47,48,49);/q;+1/p-1/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

InChIKey

TWZQFGHLZFJBOO-AFPZUSELSA-M

Smiles

[Na+].CO[C@H]1CC\C=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)\CNC(=O)[C@H](COS(=O)(=O)[O-])NC=O)\C