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Substance Name: Kahweol palmitate
RN: 81760-45-4
InChIKey: UMZARYXKQBKPOL-WDFKVAFYSA-N

Note

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

Molecular Weight

  • 552.834
 
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Names and Synonyms

Name of Substance

  • Kahweol palmitate

Synonym

  • CCRIS 2589

Systematic Names

  • Hexadecanoic acid, (3b,4,5,6,7,8,9,10,10a,10b-decahydro-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))-
  • Kahweol palmitate

Registry Numbers

CAS Registry Number

  • 81760-45-4

System Generated Number

  • 0081760454

Structure Descriptors

InChI

1S/C36H56O4/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/h20-22,24,28,30,32,38H,3-19,23,25-27H2,1-2H3/t28?,30-,32?,34?,35?,36?/m1/s1

InChIKey

UMZARYXKQBKPOL-WDFKVAFYSA-N

Smiles

C(CCCCCCCCCCCCCCC)(=O)OC[C@@]1(C[C@@]23[C@@H]([C@@]4(C=Cc5occc5[C@H]4CC2)C)CC[C@@H]1C3)O