Spektraris NMR
Vielanin E
Common Name: Vielanin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O7/c1-14(2)20-11-21-17(5)25-28(37-19(7)33)32(21,15(3)10-23(20)34)27-26(35)18(6)22-12-24-29(8,9)38-39-30(24,36)13-16(4)31(22,25)27/h12,14-16,20,25,27-28,36H,10-11,13H2,1-9H3/t15-,16-,20+,25?,27?,28+,30?,31?,32?/m0/s1
InChIKey: InChIKey=NNUJSUWFBJCDRH-AYCJFWEWSA-N
Formula: C32H42O7
Molecular Weight: 538.672895
Exact Mass: 538.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick, C., Phuong, N.M., Adam, G., Van Sung, T. Phytochemistry (2003) 64, 811-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 64.51 |
| 2 (CH) | 86.73 |
| 3 (CH) | 55.4 |
| 4 (C) | 136.26 |
| 5 (C) | 132.47 |
| 6 (CH2) | 26.69 |
| 7 (CH) | 57.29 |
| 8 (C) | 213.98 |
| 9 (CH2) | 48.15 |
| 10 (CH) | 28.45 |
| 11 (CH) | 27.85 |
| 12 (CH3) | 21.21 |
| 13 (CH3) | 20.16 |
| 14 (CH3) | 17.18 |
| 15 (CH3) | 14.34 |
| 1' (C) | 58.39 |
| 2' (CH) | 54.32 |
| 3' (C) | 206.13 |
| 4' (C) | 143.01 |
| 5' (C) | 161.45 |
| 6' (CH) | 114.6 |
| 7' (C) | 159.41 |
| 8' (C) | 104.73 |
| 9' (CH2) | 34.27 |
| 10' (CH) | 34.76 |
| 11' (C) | 85.06 |
| 12' (CH3) | 28.37 |
| 13' (CH3) | 24.8 |
| 14' (CH3) | 17.03 |
| 15' (CH3) | 8.45 |
| 2a (C) | 170.65 |
| 2b (CH3) | 21.17 |
