Spektraris NMR
Pterodontoside G
Common Name: Pterodontoside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O7/c1-11(2)12-5-7-20(3)14(9-12)21(4,8-6-15(20)23)28-19-18(26)17(25)16(24)13(10-22)27-19/h13-19,22-26H,5-10H2,1-4H3/t13-,14+,15+,16-,17+,18-,19+,20+,21+/m1/s1
InChIKey: InChIKey=KYNBODYQWKUALW-HPZPIGHWSA-N
Formula: C21H36O7
Molecular Weight: 400.507155
Exact Mass: 400.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Chiou, W.F., Shi, L.S., Wu, T.S., Wu, Y.C. J Nat Prod (2003) 66, 554-7
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) | 79.07 |
| 2 (CH2) | 29.38 |
| 3 (CH2) | 38.29 |
| 4 (C) | 78.74 |
| 5 (CH) | 53.2 |
| 6 (CH2) | 25.71 |
| 7 (C) | 120.87 |
| 8 (CH2) | 25.28 |
| 9 (CH2) | 42.48 |
| 10 (C) | 40.02 |
| 11 (C) | 132.18 |
| 12 (CH3) | 20.24 |
| 13 (CH3) | 19.09 |
| 14 (CH3) | 13.55 |
| 15 (CH3) | 20.51 |
| 1' (CH) | 98.02 |
| 2' (CH) | 75.67 |
| 3' (CH) | 78.97 |
| 4' (CH) | 72.05 |
| 5' (CH) | 77.98 |
| 6' (CH2) | 63.25 |
