Spektraris NMR
Pierisformoside E
Common Name: Pierisformoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-12-14-6-5-13-8-25(14,11-26(33)15(12)7-17(28)23(2,3)22(26)32)10-24(13,4)35-21-20(31)19(30)18(29)16(9-27)34-21/h13-21,27-31,33H,1,5-11H2,2-4H3/t13-,14+,15-,16-,17+,18-,19+,20-,21+,24-,25+,26+/m1/s1
InChIKey: InChIKey=MOMFYZURGITBHF-MCJUJJKZSA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, L.Q., Chen, S.N., Cheng, K.F., Li, C.J., Qin, G.W. Phytochemistry (2000) 54, 847-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Leucothols; 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) | 45.4 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 76.4 |
| 4 (C) | 49.6 |
| 5 (C) | 214.6 |
| 6 (C) | 78.9 |
| 7 (CH2) | 45.1 |
| 8 (C) | 46.2 |
| 9 (CH) | 50.8 |
| 10 (C) | 150.1 |
| 11 (CH2) | 22 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 47.5 |
| 14 (CH2) | 38.1 |
| 15 (CH2) | 53.9 |
| 16 (C) | 86.9 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 23.9 |
| 20 (CH2) | 107 |
| 16a (CH) | 99.3 |
| 16b (CH) | 75.4 |
| 16c (CH) | 78.8 |
| 16d (CH) | 72.2 |
| 16e (CH) | 77.8 |
| 16f (CH2) | 63.2 |
