Spektraris NMR
Tobagolide
Common Name: Tobagolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H29NO6/c1-11(2)13-9-17-14(22(26)28-7)10-18(29-17)19(12(3)4)21-20(24(5)6)15(8-16(13)25)23(27)30-21/h8,10,13,16,19-21,25H,1,3,9H2,2,4-7H3/b15-8-/t13-,16+,19+,20-,21-/m1/s1
InChIKey: InChIKey=DOCIQYRCMKIGGP-QAFSDBEESA-N
Formula: C23H29N1O6
Molecular Weight: 415.48038
Exact Mass: 415.199488
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tinto, W.F., Chan, W.R., Reynolds, W.F., McLean, S. Tetrahedron Lett (1990) 31, 465-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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) | 49.5 |
| 2 (CH2) | 29.48 |
| 3 (C) | 160.3 |
| 4 (C) | 115.93 |
| 5 (CH) | 112.28 |
| 6 (C) | 150.8 |
| 7 (CH) | 49.21 |
| 8 (CH) | 84.34 |
| 9 (CH) | 68.93 |
| 10 (C) | 130.08 |
| 11 (CH) | 143.92 |
| 12 (CH) | 70 |
| 13 (C) | 145.36 |
| 14 (CH2) | 113.38 |
| 15 (CH3) | 18.76 |
| 16 (C) | 163.79 |
| 17 (C) | 139.55 |
| 18 (CH2) | 115.87 |
| 19 (CH3) | 22.02 |
| 20 (C) | 171.63 |
| 9b (CH3) | 41.36 |
| 9c (CH3) | 41.36 |
| 16a (CH3) | 51.64 |
