Spektraris NMR
Macrophyllic acid D
Common Name: Macrophyllic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14+,15-/m1/s1
InChIKey: InChIKey=CZFYTAOSDOKUHD-OHSMQCEASA-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) | 35.5 |
| 2 (CH2) | 16.7 |
| 3 (CH2) | 31.2 |
| 4 (C) | 64.2 |
| 5 (C) | 67.9 |
| 6 (CH2) | 31.5 |
| 7 (CH) | 40.4 |
| 8 (CH2) | 27.1 |
| 9 (CH2) | 35.5 |
| 10 (C) | 33.7 |
| 11 (CH) | 154.8 |
| 12 (CH) | 119 |
| 13 (C) | 171.4 |
| 14 (CH3) | 23 |
| 15 (CH3) | 21.4 |
