Spektraris NMR
Pterodontoside D
Common Name: Pterodontoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O7/c1-19(2,28-18-17(25)16(24)15(23)13(11-22)27-18)12-6-9-20(3)7-5-8-21(4,26)14(20)10-12/h12-18,22-26H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,17+,18-,20-,21-/m0/s1
InChIKey: InChIKey=PIQFOZLNKMTTKG-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) | 42.12 |
| 2 (CH2) | 20.42 |
| 3 (CH2) | 40.34 |
| 4 (C) | 73.83 |
| 5 (CH) | 48.39 |
| 6 (CH2) | 21.75 |
| 7 (CH) | 42.52 |
| 8 (CH2) | 21.75 |
| 9 (CH2) | 42.64 |
| 10 (C) | 34.58 |
| 11 (C) | 79.69 |
| 12 (CH3) | 25.85 |
| 13 (CH3) | 26.93 |
| 14 (CH3) | 19.21 |
| 15 (CH3) | 22.71 |
| 1' (CH) | 98.06 |
| 2' (CH) | 75.69 |
| 3' (CH) | 77.68 |
| 4' (CH) | 72 |
| 5' (CH) | 78.84 |
| 6' (CH2) | 63 |
