Spektraris NMR
Reynosin
Common Name: Reynosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1
InChIKey: InChIKey=FKBUODICGDOIGB-PFFFPCNUSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, F., Xu, H., He, E.Q., Jiang, Y.T., Liu, K. J Asian Nat Prod Res (2008) 10, 1045-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 78.3 |
| 2 (CH2) | 31.3 |
| 3 (CH2) | 33.5 |
| 4 (C) | 142.4 |
| 5 (CH) | 53 |
| 6 (CH) | 79.6 |
| 7 (CH) | 49.6 |
| 8 (CH2) | 21.5 |
| 9 (CH2) | 35.7 |
| 10 (C) | 43 |
| 11 (C) | 139.3 |
| 12 (C) | 170.6 |
| 13 (CH2) | 117 |
| 14 (CH3) | 11.6 |
| 15 (CH2) | 110.7 |
