Spektraris NMR
Raspacionin
Common Name: 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-SVLNGNNUSA-N
Formula: C34H56O7
Molecular Weight: 576.805537
Exact Mass: 576.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Madaio, A., Trivellone, E., Uriz, M. J Nat Prod (1994) 57, 784-90
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) | 77.57 |
| 3 (CH) | 77 |
| 4 (CH2) | 26.1 |
| 5 (CH2) | 33.9 |
| 6 (C) | 43.37 |
| 7 (CH) | 76.01 |
| 8 (CH2) | 33.02 |
| 9 (CH2) | 35.74 |
| 10 (C) | 147.17 |
| 11 (CH) | 53.65 |
| 12 (CH2) | 27.59 |
| 13 (CH2) | 25.48 |
| 14 (CH) | 58.18 |
| 15 (C) | 83.81 |
| 16 (CH2) | 33.21 |
| 17 (CH2) | 26.59 |
| 18 (CH) | 76.74 |
| 19 (C) | 42.8 |
| 20 (CH2) | 35.32 |
| 21 (CH2) | 23.08 |
| 22 (CH) | 79.14 |
| 23 (C) | 77.33 |
| 24 (CH3) | 21.23 |
| 25 (CH3) | 29.11 |
| 26 (CH3) | 12.2 |
| 27 (CH2) | 107.38 |
| 28 (CH3) | 25.26 |
| 29 (CH3) | 12.81 |
| 30 (CH3) | 21.56 |
| 31 (CH3) | 28.96 |
| 15a (C) | 170.16 |
| 15b (CH3) | 22.51 |
| 22a (C) | 170.16 |
| 22b (CH3) | 21.23 |
