Spektraris NMR
21-Deacetyl-raspacionin
Common Name: 21-Deacetyl-raspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O6/c1-20-10-13-26-30(7,17-14-24(34)28(3,4)37-26)22(20)11-12-23-31(8)18-15-25(35)29(5,6)38-27(31)16-19-32(23,9)36-21(2)33/h22-27,34-35H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26+,27+,30+,31+,32-/m1/s1
InChIKey: InChIKey=PTUPTCJCPUOIKT-QMKGPMEVSA-N
Formula: C32H54O6
Molecular Weight: 534.768779
Exact Mass: 534.392039
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) | 77.56 |
| 3 (CH) | 77.06 |
| 4 (CH2) | 26.05 |
| 5 (CH2) | 33.85 |
| 6 (C) | 43.44 |
| 7 (CH) | 76.03 |
| 8 (CH2) | 33.09 |
| 9 (CH2) | 35.76 |
| 10 (C) | 147.28 |
| 11 (CH) | 54 |
| 12 (CH2) | 27.97 |
| 13 (CH2) | 25.88 |
| 14 (CH) | 58.08 |
| 15 (C) | 83.92 |
| 16 (CH2) | 33.09 |
| 17 (CH2) | 26.73 |
| 18 (CH) | 76.29 |
| 19 (C) | 43.06 |
| 20 (CH2) | 34.19 |
| 21 (CH2) | 25.34 |
| 22 (CH) | 77.06 |
| 23 (C) | 77.87 |
| 24 (CH3) | 21.23 |
| 25 (CH3) | 29.12 |
| 26 (CH3) | 12.13 |
| 27 (CH2) | 107.36 |
| 28 (CH3) | 25.25 |
| 29 (CH3) | 12.81 |
| 30 (CH3) | 21.46 |
| 31 (CH3) | 29.04 |
| 15a (C) | 170.29 |
| 15b (CH3) | 22.52 |
