Spektraris NMR
Pterodontoside A
Common Name: Pterodontoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O8/c1-19(2,29-18-17(26)16(25)15(24)13(10-22)28-18)11-5-6-20(3)8-12(23)9-21(4,27)14(20)7-11/h11-18,22-27H,5-10H2,1-4H3/t11-,12+,13+,14+,15+,16-,17+,18-,20+,21-/m0/s1
InChIKey: InChIKey=XNXDSEFXNZVOBK-YFOMKJGISA-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 (CH2) | 52.7 |
| 2 (CH) | 65.3 |
| 3 (CH2) | 54.3 |
| 4 (C) | 72.7 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 42.5 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 42.7 |
| 10 (C) | 34.3 |
| 11 (C) | 81.5 |
| 12 (CH3) | 25.9 |
| 13 (CH3) | 27.1 |
| 14 (CH3) | 20.5 |
| 15 (CH3) | 23.9 |
| 1' (CH) | 98.7 |
| 2' (CH) | 75.7 |
| 3' (CH) | 77.8 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 63.1 |
