Spektraris NMR
Pristimerol
Common Name: Pristimerol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h9,16,23,31-32H,8,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=GAPWCQHXCIXKLV-WXPPGMDDSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, F.M., Lopez, M.R., Jimenez, I.A., Moujir, L., Ravelo, A.G., Bazzocchi, I.L. Tetrahedron (2005) 61, 2513-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 108.3 |
| 2 (C) | 142.8 |
| 3 (C) | 140.7 |
| 4 (C) | 119.9 |
| 5 (C) | 124 |
| 6 (CH2) | 27.5 |
| 7 (CH) | 117.9 |
| 8 (C) | 149.3 |
| 9 (C) | 36.5 |
| 10 (C) | 140.2 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 29.7 |
| 13 (C) | 37.5 |
| 14 (C) | 43.7 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 36.8 |
| 17 (C) | 30.3 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 30.5 |
| 20 (C) | 40.1 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 34.6 |
| 23 (CH3) | 10.7 |
| 25 (CH3) | 33.8 |
| 26 (CH3) | 22.3 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 31 |
| 29 (C) | 178.1 |
| 30 (CH3) | 32.1 |
| 29a (CH3) | 50.8 |
