Spektraris NMR
Macrophyllic acid B
Common Name: Macrophyllic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-11-4-3-8-14(2)9-7-12(5-6-13(16)17)10-15(11,14)18/h5-6,12,18H,1,3-4,7-10H2,2H3,(H,16,17)/b6-5+/t12-,14-,15+/m1/s1
InChIKey: InChIKey=OKSWDWBXHMOVCG-ZBRHRRKMSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
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) | 34.6 |
| 2 (CH2) | 22.5 |
| 3 (CH2) | 32.1 |
| 4 (C) | 148.2 |
| 5 (C) | 86.5 |
| 6 (CH2) | 29.2 |
| 7 (CH) | 35.5 |
| 8 (CH2) | 25.9 |
| 9 (CH2) | 33.8 |
| 10 (C) | 38.7 |
| 11 (CH) | 156.2 |
| 12 (CH) | 118.8 |
| 13 (C) | 170.9 |
| 14 (CH3) | 21.1 |
| 15 (CH2) | 111.7 |
