Spektraris NMR
Pterodontoside B
Common Name: Pterodontoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O8/c1-19(2,27)11-5-7-20(3)13(9-11)21(4,8-6-14(20)23)29-18-17(26)16(25)15(24)12(10-22)28-18/h11-18,22-27H,5-10H2,1-4H3/t11-,12+,13+,14-,15+,16-,17+,18-,20-,21-/m0/s1
InChIKey: InChIKey=HICPZCMIUKUSGV-NKLUZWMZSA-N
Formula: C21H38O8
Molecular Weight: 418.522442
Exact Mass: 418.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, S.L., Ding, J.K., Jiang, B., Na, B.B. Phytochemistry (1998) 49, 2035-6
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) | 79.4 |
| 2 (CH2) | 29.4 |
| 3 (CH2) | 39.1 |
| 4 (C) | 79.3 |
| 5 (CH) | 47 |
| 6 (CH2) | 21.6 |
| 7 (CH) | 42.5 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 42.6 |
| 10 (C) | 39.5 |
| 11 (C) | 73.7 |
| 12 (CH3) | 29.5 |
| 13 (CH3) | 30.3 |
| 14 (CH3) | 14.6 |
| 15 (CH3) | 19.6 |
| 1' (CH) | 98 |
| 2' (CH) | 75.6 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.7 |
