Spektraris NMR
Hymenoic acid
Common Name: Hymenoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-10(4-3-5-11(2)14(16)17)12-6-8-13(9-7-12)15(18)19/h4,11-13H,3,5-9H2,1-2H3,(H,16,17)(H,18,19)/b10-4+/t11-,12-,13-/m0/s1
InChIKey: InChIKey=LTNNRLSIPOPBOC-YKOULDITSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nishida, M., Ida, N., Horio, M., Takeuchi, T., Kamisuki, S., Murata, H., Kuramochi, K., Sugawara, F., Yoshida, H., Mizushina, Y. Bioorg Med Chem (2008) 16, 5115-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 32.1 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 44.4 |
| 4 (CH2) | 30.5 |
| 5 (CH2) | 32.1 |
| 6 (CH) | 47.9 |
| 7 (C) | 141.4 |
| 8 (CH) | 123.3 |
| 9 (CH2) | 26.4 |
| 10 (CH2) | 35 |
| 11 (CH) | 40.2 |
| 12 (CH3) | 17.7 |
| 13 (C) | 180.8 |
| 14 (CH3) | 14.4 |
| 15 (C) | 180.1 |
