Spektraris NMR
Macrophyllic acid A
Common Name: Macrophyllic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1
InChIKey: InChIKey=CFUISBDJXHZKJK-OBLPCYNLSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Yabuuchi, T., Kusumi, T., Tori, M., Takaoka, S., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2001) 64, 466-71
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 40.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 33.2 |
| 4 (C) | 125.8 |
| 5 (C) | 133.2 |
| 6 (CH2) | 30.5 |
| 7 (CH) | 42.3 |
| 8 (CH2) | 27.6 |
| 9 (CH2) | 41.5 |
| 10 (C) | 34.4 |
| 11 (CH) | 156.8 |
| 12 (CH) | 118.6 |
| 13 (C) | 172.6 |
| 14 (CH3) | 24.5 |
| 15 (CH3) | 19.4 |
