Spektraris NMR
Vielanin D
Common Name: Vielanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O7/c1-14(2)19-11-20-17(5)25-26-27(35)24-15(3)13-31(36)23(29(7,8)38-39-31)12-21(24)30(26,9)32(20,16(4)10-22(19)34)28(25)37-18(6)33/h12,14-16,19,25-26,28,36H,10-11,13H2,1-9H3/t15-,16-,19+,25-,26+,28?,30-,31?,32+/m1/s1
InChIKey: InChIKey=NJKPJOXZONOTJC-GRVSQUDPSA-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) | 65.52 |
| 2 (CH) | 86.26 |
| 3 (CH) | 51.19 |
| 4 (C) | 136.84 |
| 5 (C) | 132.76 |
| 6 (CH2) | 25.56 |
| 7 (CH) | 60.96 |
| 8 (C) | 215.58 |
| 9 (CH2) | 47.86 |
| 10 (CH) | 31.98 |
| 11 (CH) | 27.37 |
| 12 (CH3) | 21.06 |
| 13 (CH3) | 20.73 |
| 14 (CH3) | 21.23 |
| 15 (CH3) | 14.8 |
| 1' (C) | 146.68 |
| 2' (C) | 205.7 |
| 3' (CH) | 55.55 |
| 4' (C) | 53.29 |
| 5' (C) | 162.08 |
| 6' (CH) | 113.38 |
| 7' (C) | 162.55 |
| 8' (C) | 102.94 |
| 9' (CH2) | 39.32 |
| 10' (CH) | 27.88 |
| 11' (C) | 85.99 |
| 12' (CH3) | 27.14 |
| 13' (CH3) | 23.87 |
| 14' (CH3) | 18.51 |
| 15' (CH3) | 23.97 |
| 2a (C) | 170.33 |
| 2b (CH3) | 21.23 |
