Spektraris NMR
Pristimerin
Common Name: Pristimerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O4/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/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=JFACETXYABVHFD-WXPPGMDDSA-N
Formula: C30H40O4
Molecular Weight: 464.637327
Exact Mass: 464.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fernando H.C., Gunatilaka A.A.L., Tezuka Y., Kikuchi T. Tetrahedron (1989) 45, 5867
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) | 119.6 |
| 2 (C) | 178.4 |
| 3 (C) | 146.1 |
| 4 (C) | 117 |
| 5 (C) | 127.5 |
| 6 (CH) | 133.9 |
| 7 (CH) | 118.1 |
| 8 (C) | 169.9 |
| 9 (C) | 42.9 |
| 10 (C) | 164.7 |
| 11 (CH2) | 33.6 |
| 12 (CH2) | 29.7 |
| 13 (C) | 39.4 |
| 14 (C) | 45 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 36.4 |
| 17 (C) | 30.6 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 30.9 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 34.8 |
| 23 (CH3) | 10.2 |
| 25 (CH3) | 38.3 |
| 26 (CH3) | 21.6 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 31.6 |
| 29 (C) | 178.7 |
| 30 (CH3) | 32.7 |
| 29a (CH3) | 51 |
