Spektraris NMR
Pterodontoside C
Common Name: Pterodontoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O7/c1-19(2,26)12-6-9-20(3)7-5-8-21(4,14(20)10-12)28-18-17(25)16(24)15(23)13(11-22)27-18/h12-18,22-26H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,17+,18-,20-,21-/m0/s1
InChIKey: InChIKey=VHWTWCWOPLSCJH-BYEUNBPGSA-N
Formula: C21H38O7
Molecular Weight: 402.523037
Exact Mass: 402.261754
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 (CH2) | 42.11 |
| 2 (CH2) | 20.85 |
| 3 (CH2) | 40.37 |
| 4 (C) | 81.32 |
| 5 (CH) | 48.39 |
| 6 (CH2) | 21.86 |
| 7 (CH) | 42.96 |
| 8 (CH2) | 21.86 |
| 9 (CH2) | 42.76 |
| 10 (C) | 34.7 |
| 11 (C) | 71.78 |
| 12 (CH3) | 29.75 |
| 13 (CH3) | 30.57 |
| 14 (CH3) | 19.43 |
| 15 (CH3) | 19.74 |
| 1' (CH) | 98.62 |
| 2' (CH) | 75.77 |
| 3' (CH) | 72.13 |
| 4' (CH) | 78.01 |
| 5' (CH) | 79.01 |
| 6' (CH2) | 63.11 |
