Paspalic acid

• CAT Number: I034247
• CAS Number: 5516-88-1
• Molecular Formula: C16H16N2O2
• Molecular Weight: 268.316
• Purity: 98%
• Synonyms: Paspalic acid
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: Ergoline-8-carboxylic acid, 8,9-didehydro-6-methyl-
• InChI: InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1
• InChIKey: RJNCJTROKRDRBW-TZMCWYRMSA-N
• SMILES: [H][C@@]1(N(C)CC(C(O)=O)=C[C@@]12[H])CC3=CNC4=C3C2=CC=C4

Paspalic acid is a precursor for lysergic acid and ergoline alkaloids.

Reference

1: Kim SU, Cho YJ, Floss HG, Anderson JA. Conversion of Elymoclavine to Paspalic Acid by a Particulate Fraction from an Ergotamine-Producing Strain of Claviceps sp. Planta Med. 1983 Jul;48(7):145-8. PubMed PMID: 17404974.
2: Himmelsbach M, Ferdig M, Rohrer T. Analysis of paspalic acid, lysergic acid, and iso-lysergic acid by capillary zone electrophoresis with UV- and quadrupole time-of-flight mass spectrometric detection. Electrophoresis. 2014 May;35(9):1329-33. doi: 10.1002/elps.201300224. Epub 2013 Oct 18. PubMed PMID: 24115177.
3: Kim SU, Anderson JA. Conversion of elymoclavine to paspalic acid by a particulate fraction from an ergotamine-producing strain of Claviceps sp. Planta Med. 1982 Jul;45(3):141. PubMed PMID: 17396831.