Spektraris NMR
Populene H
Common Name: Populene H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-6-4-9(16)20-15-10(6)11-12(17)7(2)5-19-14(11)8(3)13(15)18/h6-7,9,16,18H,4-5H2,1-3H3/t6-,7?,9+/m1/s1
InChIKey: InChIKey=RLGFRXCJYZPFKF-YUTBPMSOSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boonsri, S., Karalai, C., Ponglimanont, C., Chantrapromma, S., Kanjana-opas, A. J Nat Prod (2008) 71, 1173-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 127.2 |
| 2 (C) | 134.9 |
| 3 (C) | 149.9 |
| 4 (C) | 110.6 |
| 5 (C) | 158.7 |
| 6 (C) | 111.4 |
| 7 (C) | 196.1 |
| 8 (CH) | 95.9 |
| 9 (CH2) | 36.1 |
| 10 (CH) | 27.1 |
| 11 (CH) | 42.1 |
| 12 (CH2) | 72.6 |
| 13 (CH3) | 11.8 |
| 14 (CH3) | 9 |
| 15 (CH3) | 23 |
