3-O-Tetradecanoylingenol
[CAS# 83036-83-3]

Identification

• Name: 3-O-Tetradecanoylingenol
• Synonyms: 3-Tdi; Tetradecanoic Acid, 1A,2,5,5A,6,9,10,10A-Octahydro-5,5A-Dihydroxy-4-(Hydroxymethyl)-1,1,7,9-Tetramethyl-11-Oxo-1H-2,8A-Methanocyclopenta(A)Cyclopropa(E)Cyclodecen-6-Yl Ester
• Molecular Formula: C₃₄H₅₄O₆
• Molecular Weight: 558.80
• CAS Registry Number: 83036-83-3
• SMILES: C(C3=CC4C1C(C1(C)C)CC(C2(C(C(OC(=O)CCCCCCCCCCCCC)C(=C2)C)(C3O)O)C4=O)C)O
• InChI: 1S/C34H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)40-31-22(2)20-33-23(3)18-26-28(32(26,4)5)25(30(33)38)19-24(21-35)29(37)34(31,33)39/h19-20,23,25-26,28-29,31,35,37,39H,6-18,21H2,1-5H3
• InChIKey: KONRSXDGNUZJIJ-UHFFFAOYSA-N