Spektraris NMR
Pulicanaral B
Common Name: Pulicanaral B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O7/c1-10(2)15-13(23-11(3)21)8-19(9-20)14(25-19)6-7-18(5)17(26-18)16(15)24-12(4)22/h9-10,13-17H,6-8H2,1-5H3/t13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKey: InChIKey=FZHYVARJPXGTKX-KQVYOXMSSA-N
Formula: C19H28O7
Molecular Weight: 368.422158
Exact Mass: 368.183503
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) | 62.3 |
| 2 (CH2) | 23.1 |
| 3 (CH2) | 35.7 |
| 4 (C) | 58 |
| 5 (CH) | 66.2 |
| 6 (CH) | 72.5 |
| 7 (CH) | 47.9 |
| 8 (CH) | 69.2 |
| 9 (CH2) | 33.3 |
| 10 (C) | 61.8 |
| 11 (CH) | 26.3 |
| 12 (CH3) | 21.9 |
| 13 (CH3) | 21 |
| 14 (CH) | 199.8 |
| 15 (CH3) | 16.7 |
| 6a (C) | 169.7 |
| 6b (CH3) | 20.8 |
| 8a (C) | 169.8 |
| 8b (CH3) | 20.9 |
