Spektraris NMR
Pulicanaral B
Common Name: Pulicanaral B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O6/c1-9(2)13-11(21-10(3)19)7-17(8-18)12(22-17)5-6-16(4)15(23-16)14(13)20/h8-9,11-15,20H,5-7H2,1-4H3/t11-,12+,13+,14+,15+,16-,17+/m1/s1
InChIKey: InChIKey=VOWGEZVKTJIMKD-VEJQYAPMSA-N
Formula: C17H26O6
Molecular Weight: 326.385399
Exact Mass: 326.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Perez, F.J., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2005) 68, 523-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) | 62.5 |
| 2 (CH2) | 23 |
| 3 (CH2) | 35.8 |
| 4 (C) | 58 |
| 5 (CH) | 67.7 |
| 6 (CH) | 70.2 |
| 7 (CH) | 49.7 |
| 8 (CH) | 70 |
| 9 (CH2) | 34.5 |
| 10 (C) | 61.5 |
| 11 (CH) | 26.3 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 21.1 |
| 14 (CH) | 199.3 |
| 15 (CH3) | 16.1 |
| 8a (C) | 173 |
| 8b (CH3) | 21 |
