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Substance Name: Cafestol palmitate
RN: 81760-46-5
UNII: P8W9M3T86Y
InChIKey: DGPMHJKMSANHDM-SMDVAALKSA-N

Note

  • Active constituent of green coffee bean; enhance glutathione S-transferase activity.

Molecular Weight

  • 554.8502
 
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Names and Synonyms

Name of Substance

  • Cafestol palmitate

Synonyms

  • CCRIS 5878
  • UNII-P8W9M3T86Y

Systematic Names

  • Cafestol palmitate
  • Hexadecanoic acid, (3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta(5,6)naphtho(2,1-b)furan-7-yl)methyl ester, (3bS-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-

Registry Numbers

CAS Registry Number

  • 81760-46-5

FDA UNII

  • P8W9M3T86Y

System Generated Number

  • 0081760465

Structure Descriptors

InChI

1S/C36H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h21,24,28,30,32,38H,3-20,22-23,25-27H2,1-2H3/t28-,30-,32+,34-,35+,36+/m1/s1

InChIKey

DGPMHJKMSANHDM-SMDVAALKSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@]1(C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4([C@@H]2CC[C@@H]1C3)C)O