Spektraris NMR
10-Acetoxy-4-acetyl-15-deacetyl-28-hydroraspacionin
Common Name: 10-Acetoxy-4-acetyl-15-deacetyl-28-hydroraspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O9/c1-22(37)41-27-14-18-33(8)25(35(10,40)20-16-29(33)44-31(27,4)5)12-13-26-34(9)19-15-28(42-23(2)38)32(6,7)45-30(34)17-21-36(26,11)43-24(3)39/h25-30,40H,12-21H2,1-11H3/t25-,26-,27-,28-,29-,30-,33-,34-,35+,36-/m0/s1
InChIKey: InChIKey=OZEHXGNTZFKTQU-JELIJPQXSA-N
Formula: C36H60O9
Molecular Weight: 636.857582
Exact Mass: 636.423734
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) | 77.47 |
| 3 (CH) | 78.76 |
| 4 (CH2) | 23.2 |
| 5 (CH2) | 35.89 |
| 6 (C) | 42.85 |
| 7 (CH) | 76.16 |
| 8 (CH2) | 30.5 |
| 9 (CH2) | 35.38 |
| 10 (C) | 86.92 |
| 11 (CH) | 56.19 |
| 12 (CH2) | 28 |
| 13 (CH2) | 29.05 |
| 14 (CH) | 56.02 |
| 15 (C) | 72.25 |
| 16 (CH2) | 39.41 |
| 17 (CH2) | 26.43 |
| 18 (CH) | 76.64 |
| 19 (C) | 42.45 |
| 20 (CH2) | 35.49 |
| 21 (CH2) | 23.1 |
| 22 (CH) | 79.02 |
| 23 (C) | 77.47 |
| 24 (CH3) | 21.53 |
| 25 (CH3) | 29 |
| 26 (CH3) | 13.27 |
| 27 (CH3) | 19.72 |
| 28 (CH3) | 30.41 |
| 29 (CH3) | 13.09 |
| 30 (CH3) | 21.48 |
| 31 (CH3) | 28.81 |
| 3a (C) | 170.23 |
| 3b (CH3) | 21.29 |
| 10a (C) | 170.23 |
| 10b (CH3) | 23.2 |
| 22a (C) | 170.23 |
| 22b (CH3) | 21.29 |
