Spektraris NMR
Macrophynin E
Common Name: Macrophynin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(18(14)22)7-9-17-19(3,12-21)10-5-11-20(16,17)4/h6,8,13,17,21-22H,5,7,9-12H2,1-4H3/t17-,19-,20+/m1/s1
InChIKey: InChIKey=ZGQGBEGMJCXLOB-RLLQIKCJSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qin, S., Chen, S.H., Guo, Y.W., Gu, Y.C. Helv Chim Acta (2007) 90, 2041-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 19.5 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 35.1 |
| 4 (C) | 38.5 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 39.7 |
| 7 (CH2) | 29.2 |
| 8 (C) | 142.7 |
| 9 (C) | 133.6 |
| 10 (C) | 37.6 |
| 11 (CH) | 114.4 |
| 12 (CH) | 123.1 |
| 13 (C) | 131 |
| 14 (C) | 152.1 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 20.7 |
| 17 (CH3) | 20.7 |
| 18 (CH2) | 65.3 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 26 |
