Spektraris NMR
Euphorbol acetate
Common Name: Euphorbol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h21,23,25,28-29H,3,11-20H2,1-2,4-10H3/t23-,25-,28-,29-,31+,32-,33+/m0/s1
InChIKey: InChIKey=XJAUCFFDVQSSEW-DULYNBFYSA-N
Formula: C33H54O2
Molecular Weight: 482.781895
Exact Mass: 482.412381
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) | 34.9 |
| 2 (CH2) | 24.2 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.9 |
| 5 (CH) | 51.1 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 27.5 |
| 8 (C) | 133.6 |
| 9 (C) | 133.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 30.8 |
| 13 (C) | 44.1 |
| 14 (C) | 49.9 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.3 |
| 24 (C) | 156.9 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 28 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 24.4 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
| 24a (CH2) | 106 |
