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Substance Name: Grindelic acid methyl ester
RN: 1438-58-0
UNII: 766CLX68VM
InChIKey: TWPKVIVCLJTFPY-LRGNLBRXSA-N

Molecular Formula

  • C21-H34-O3

Molecular Weight

  • 334.4966
 
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Names and Synonyms

Name of Substance

  • Grindelic acid methyl ester

Synonyms

  • Grindelic acid methyl ester
  • Grindelic acid methyl ester [MI]
  • Grindelic acid methyl ester, (-)-
  • LABD-7-EN-15-oic acid, 9,13-epoxy-, methyl ester
  • Methyl grindelate
  • Methyl grindeloate
  • Spiro(furan-2(3H),1'(4'H)-naphthalene)-5-acetic acid, 4,4'a,5,5',6',7',8',8'a-octahydro-2',5,5',5',8'a-pentamethyl-, methyl ester, (1'R,4'as,5S,8'as)-
  • UNII-766CLX68VM

Registry Numbers

CAS Registry Number

  • 1438-58-0

FDA UNII

  • 766CLX68VM

System Generated Number

  • 0001438580

Structure Descriptors

InChI

1S/C21H34O3/c1-15-8-9-16-18(2,3)10-7-11-20(16,5)21(15)13-12-19(4,24-21)14-17(22)23-6/h8,16H,7,9-14H2,1-6H3/t16-,19-,20-,21+/m0/s1

InChIKey

TWPKVIVCLJTFPY-LRGNLBRXSA-N

Smiles

CC1=CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)OC)(CCCC2(C)C)C