Spektraris NMR
10-Hydroxy-4,21-dioxo-28-hydroraspacionin
Common Name: 10-Hydroxy-4,21-dioxo-28-hydroraspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O7/c1-20(33)37-32(9)19-15-26-30(7,17-13-24(35)28(4,5)39-26)22(32)11-10-21-29(6)16-12-23(34)27(2,3)38-25(29)14-18-31(21,8)36/h21-22,25-26,36H,10-19H2,1-9H3/t21-,22-,25-,26-,29-,30-,31-,32+/m0/s1
InChIKey: InChIKey=PARKOQRMYMSPLW-KODZCEPFSA-N
Formula: C32H52O7
Molecular Weight: 548.752302
Exact Mass: 548.371304
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) | 82.63 |
| 3 (C) | 217.78 |
| 4 (CH2) | 35.03 |
| 5 (CH2) | 41.32 |
| 6 (C) | 42.03 |
| 7 (CH) | 80.97 |
| 8 (CH2) | 26.45 |
| 9 (CH2) | 40 |
| 10 (C) | 73.22 |
| 11 (CH) | 57.93 |
| 12 (CH2) | 28.76 |
| 13 (CH2) | 29.79 |
| 14 (CH) | 57.93 |
| 15 (C) | 83.58 |
| 16 (CH2) | 32.91 |
| 17 (CH2) | 30.12 |
| 18 (CH) | 80.97 |
| 19 (C) | 41.75 |
| 20 (CH2) | 40.49 |
| 21 (CH2) | 35.09 |
| 22 (C) | 217.55 |
| 23 (C) | 82.57 |
| 24 (CH3) | 20.46 |
| 25 (CH3) | 26.48 |
| 26 (CH3) | 12.25 |
| 27 (CH3) | 23.54 |
| 28 (CH3) | 24.48 |
| 29 (CH3) | 12.25 |
| 30 (CH3) | 20.46 |
| 31 (CH3) | 26.45 |
| 15a (C) | 170.09 |
| 15b (CH3) | 22.53 |
