Spektraris NMR
4-epi-Raspacionin
Common Name: 4-epi-Raspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O7/c1-21-11-14-28-32(8,18-15-26(37)30(4,5)40-28)24(21)12-13-25-33(9)19-16-27(38-22(2)35)31(6,7)41-29(33)17-20-34(25,10)39-23(3)36/h24-29,37H,1,11-20H2,2-10H3/t24-,25+,26-,27+,28+,29+,32+,33+,34-/m1/s1
InChIKey: InChIKey=FIPFCWUZHBERNZ-YBYWDXMQSA-N
Formula: C34H56O7
Molecular Weight: 576.805537
Exact Mass: 576.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Epifanio, R.D., Madaio, A., Puliti, R., Trivellone, E. J Nat Prod (1993) 56, 1622-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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 |
|---|---|
| 2 (C) | 76.44 |
| 3 (CH) | 79.6 |
| 4 (CH2) | 30.63 |
| 5 (CH2) | 41.2 |
| 6 (C) | 42.85 |
| 7 (CH) | 75.22 |
| 8 (CH2) | 32.83 |
| 9 (CH2) | 35.66 |
| 10 (C) | 146.61 |
| 11 (CH) | 54.14 |
| 12 (CH2) | 27.79 |
| 13 (CH2) | 25.73 |
| 14 (CH) | 58.3 |
| 15 (C) | 83.66 |
| 16 (CH2) | 33.15 |
| 17 (CH2) | 26.55 |
| 18 (CH) | 76.62 |
| 19 (C) | 42.64 |
| 20 (CH2) | 35.35 |
| 21 (CH2) | 23.09 |
| 22 (CH) | 79.08 |
| 23 (C) | 77.38 |
| 24 (CH3) | 21.92 |
| 25 (CH3) | 24.44 |
| 26 (CH3) | 12.48 |
| 27 (CH2) | 107.7 |
| 28 (CH3) | 25.22 |
| 29 (CH3) | 12.81 |
| 30 (CH3) | 21.52 |
| 31 (CH3) | 28.94 |
| 15a (C) | 170.11 |
| 15b (CH3) | 22.49 |
| 22a (C) | 170.2 |
| 22b (CH3) | 21.25 |
