Spektraris NMR
21-Deacetyl-Raspacionin-A
Common Name: 21-Deacetyl-Raspacionin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O7/c1-20-10-11-25-31(18-19-32(35,39-31)27(5,6)38-25)29(20,8)16-12-22-28(7)15-13-23(34)26(3,4)37-24(28)14-17-30(22,9)36-21(2)33/h20,22-25,34-35H,10-19H2,1-9H3/t20-,22+,23+,24-,25-,28-,29-,30+,31+,32+/m1/s1
InChIKey: InChIKey=DAVHENLMKYDPFU-LNPCDXHXSA-N
Formula: C32H54O7
Molecular Weight: 550.768184
Exact Mass: 550.386954
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cimino, G., Crispino, A., Epifanio, R.d.A., Madaio, A., Mattia, C.A., Mazzarella, L., Puliti, R., Trivellone, E., Uriz, M. Tetrahedron (1992) 48, 9013-22
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) | 76.64 |
| 3 (C) | 105.72 |
| 4 (CH2) | 32.74 |
| 5 (CH2) | 23.76 |
| 6 (C) | 89.96 |
| 7 (CH) | 71.31 |
| 8 (CH2) | 28.4 |
| 9 (CH2) | 27.55 |
| 10 (CH) | 39.65 |
| 11 (C) | 41.25 |
| 12 (CH2) | 33.19 |
| 13 (CH2) | 25.17 |
| 14 (CH) | 51.74 |
| 15 (C) | 85.03 |
| 16 (CH2) | 33.57 |
| 17 (CH2) | 26.79 |
| 18 (CH) | 70.21 |
| 19 (C) | 41.41 |
| 20 (CH2) | 36.61 |
| 21 (CH2) | 29.48 |
| 22 (CH) | 78.97 |
| 23 (C) | 76.45 |
| 24 (CH3) | 18.86 |
| 25 (CH3) | 24.75 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 15.17 |
| 28 (CH3) | 25.29 |
| 29 (CH3) | 20.76 |
| 30 (CH3) | 24.34 |
| 31 (CH3) | 21.8 |
| 15a (C) | 170.83 |
| 15b (CH3) | 23.08 |
