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Substance Name: Digalloyl trioleate [USAN]
RN: 17048-39-4
UNII: PGQ9BY2MDE
InChIKey: HMKKFLSUPRUBOO-IUPFWZBJSA-N

Molecular Weight

  • 1115.5734
 
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Names and Synonyms

Name of Substance

  • Digalloyl trioleate [USAN]

Synonyms

  • Digalloyl trioleate
  • Gallic acid, 3-gallate, trioleate
  • Oleic acid, triester with gallic acid, 3-ester with gallic acid
  • UNII-PGQ9BY2MDE

Registry Numbers

CAS Registry Number

  • 17048-39-4

FDA UNII

  • PGQ9BY2MDE

System Generated Number

  • 0017048394

Structure Descriptors

InChI

1S/C68H106O12/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-62(70)77-60-54-57(68(76)79-59-53-56(67(74)75)52-58(69)65(59)73)55-61(78-63(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66(60)80-64(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,52-55,69,73H,4-24,31-51H2,1-3H3,(H,74,75)/b28-25-,29-26-,30-27-

InChIKey

HMKKFLSUPRUBOO-IUPFWZBJSA-N

Smiles

c1(c(cc(C(Oc2cc(cc(c2O)O)C(O)=O)=O)cc1OC(C)=O)OC(C)=O)OC(C)=O