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Substance Name: Iejimalide B
RN: 117582-92-0
UNII: 7AT5FEX4Z8
InChIKey: FAVMTJDTJCBNEZ-MDFWTKNVSA-N

Molecular Formula

  • C41-H60-N2-O7

Molecular Weight

  • 678.9052
 
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Names and Synonyms

Results Name

  • Iejimalide B

Name of Substance

  • Iejimalide B

Synonyms

  • Iejimalide B
  • UNII-7AT5FEX4Z8

Systematic Name

  • 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-hexadienyl)-2-(formylamino)-3-hydroxy-, (2S)-

Registry Numbers

CAS Registry Number

  • 117582-92-0

FDA UNII

  • 7AT5FEX4Z8

System Generated Number

  • 0117582920

Structure Descriptors

InChI

1S/C40H58N2O7/c1-29-13-11-17-35(47-7)16-10-9-15-33(5)39(34(6)23-21-32(4)26-41-40(46)37(27-43)42-28-44)49-38(45)24-22-30(2)19-20-31(3)25-36(48-8)18-12-14-29/h9-10,12-16,19-25,28,30,33,35-37,39,43H,11,17-18,26-27H2,1-8H3,(H,41,46)(H,42,44)/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

InChIKey

FAVMTJDTJCBNEZ-MDFWTKNVSA-N

Smiles

CO[C@H]1CC\C=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)\CNC(=O)[C@H](CO)NC=O)\C