Spektraris NMR
Euphorbol
Common Name: Euphorbol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23-,26-,27-,29+,30-,31+/m0/s1
InChIKey: InChIKey=XJLZCPIILZRCPS-CKCUNPICSA-N
Formula: C31H52O1
Molecular Weight: 440.745137
Exact Mass: 440.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kithsiri Wijeratne, E.M., Tokuda, H., Enjo, F., Toriumi, M., Kimura, Y., Koike, K., Nikaido, T., Tezuka, Y., Nishino, H. J Nat Prod (2002) 65, 158-62
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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 (CH2) | 35.3 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 51 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 27.7 |
| 8 (C) | 133.5 |
| 9 (C) | 134.1 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 30.8 |
| 13 (C) | 44.1 |
| 14 (C) | 50 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 24.4 |
| 24a (CH2) | 105.9 |
