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Substance Name: Simumeramide
RN: 124787-56-0
InChIKey: GMWIWVUTMCBDSP-ZNPGVSGMSA-N

Note

  • Obtained from the soft coral. No further information 08/26/2003.

Molecular Formula

  • C34-H65-N-O3

Molecular Weight

  • 535.891
 
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Names and Synonyms

Results Name

  • Simumeramide

Synonym

  • Simumeramide

Systematic Name

  • Hexadecanamide, N-(2-hydroxy-1-(hydroxymethyl)-3,7-heptadecadien-1-yl)-

Registry Numbers

CAS Registry Number

  • 124787-56-0

System Generated Number

  • 0124787560

Structure Descriptors

InChI

1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+

InChIKey

GMWIWVUTMCBDSP-ZNPGVSGMSA-N

Smiles

C(CCCCCCCCCCCCCCC)(=O)N[C@@H]([C@@H](\C=C\CC\C=C\CCCCCCCCC)O)CO