Spektraris NMR
Nemoralisin
Common Name: Nemoralisin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13(9-16-10-14(2)11-19(22)23-16)7-6-8-15(3)17-12-18(21)20(4,5)24-17/h9,11-12,15-16H,6-8,10H2,1-5H3/b13-9+
InChIKey: InChIKey=AVYLUTSPDMUJIF-UKTHLTGXSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, X.F., Wang, X.N., Fan, C.Q., Gan, L.S., Yin, S., Yue, J.M. Helv Chim Acta (2007) 90, 783-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (C) | 165.1 |
| 2 (CH) | 116.4 |
| 3 (C) | 156.9 |
| 4 (CH2) | 34.9 |
| 5 (CH) | 73.9 |
| 6 (CH) | 122.1 |
| 7 (C) | 141.8 |
| 8 (CH2) | 38.9 |
| 9 (CH2) | 24.6 |
| 10 (CH2) | 33.3 |
| 11 (CH) | 35.3 |
| 12 (C) | 195.5 |
| 13 (CH) | 99.7 |
| 14 (C) | 207.3 |
| 15 (C) | 88.1 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 22.8 |
