Spektraris NMR
Isosalvixalapadiene
Common Name: Isosalvixalapadiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O5/c1-3-13-17(18(25-20(13)22)12-7-8-23-9-12)11(2)14-5-4-6-15-16(14)10-24-19(15)21/h3-9,18H,10H2,1-2H3/b13-3-,17-11+/t18-/m0/s1
InChIKey: InChIKey=XBLYNGFLAFKITF-FHRRPUKLSA-N
Formula: C20H16O5
Molecular Weight: 336.338795
Exact Mass: 336.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Tello, R., Sanchez, A.A. J Nat Prod (2005) 68, 787-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 133.8 |
| 2 (CH) | 130.1 |
| 3 (CH) | 125.4 |
| 4 (C) | 143.6 |
| 5 (C) | 126.6 |
| 6 (CH3) | 16.2 |
| 7 (CH) | 138.8 |
| 8 (C) | 126 |
| 9 (C) | 132.3 |
| 10 (C) | 138 |
| 11 (C) | 131.4 |
| 12 (CH) | 73.9 |
| 13 (C) | 122.6 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.4 |
| 16 (CH) | 140.7 |
| 17 (C) | 169.6 |
| 18 (C) | 170.4 |
| 19 (CH2) | 69.4 |
| 20 (CH3) | 16.2 |
