Spektraris NMR
Raspacionin B
Common Name: Raspacionin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-20-9-10-26-32(18-13-24(35)28(5,6)38-26)19-31(20,32)17-11-22-29(7)15-12-23(34)27(3,4)37-25(29)14-16-30(22,8)36-21(2)33/h20,22,25-26H,9-19H2,1-8H3/t20-,22+,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=YWFWGDOACPBQBC-DEMPQMHLSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Crispino, A., Madaio, A., Trivellone, E., Uriz, M. J Nat Prod (1993) 56, 534-8
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) | 82.58 |
| 3 (C) | 217.93 |
| 4 (CH2) | 38.7 |
| 5 (CH2) | 33.51 |
| 6 (C) | 31.9 |
| 7 (CH) | 77.64 |
| 8 (CH2) | 26.46 |
| 9 (CH2) | 28.91 |
| 10 (CH) | 27.98 |
| 11 (C) | 34.65 |
| 12 (CH2) | 40.68 |
| 13 (CH2) | 25.62 |
| 14 (CH) | 57.22 |
| 15 (C) | 83.79 |
| 16 (CH2) | 33 |
| 17 (CH2) | 22.89 |
| 18 (CH) | 80.05 |
| 19 (C) | 42.25 |
| 20 (CH2) | 40.11 |
| 21 (CH2) | 35.06 |
| 22 (C) | 217.36 |
| 23 (C) | 82.58 |
| 24 (CH3) | 20.94 |
| 25 (CH3) | 26.83 |
| 26 (CH2) | 17.54 |
| 27 (CH3) | 18.07 |
| 28 (CH3) | 24.75 |
| 29 (CH3) | 12.41 |
| 30 (CH3) | 20.46 |
| 31 (CH3) | 26.52 |
| 15a (C) | 170.05 |
| 15b (CH3) | 22.57 |
