Spektraris NMR
10-Acetoxy-4,21-dioxo-28-hydroraspacionin
Common Name: 10-Acetoxy-4,21-dioxo-28-hydroraspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-24,27-28H,11-20H2,1-10H3/t23-,24-,27-,28-,31-,32-,33-,34+/m0/s1
InChIKey: InChIKey=NYJRAWTYAQFJOW-JZRWHWGSSA-N
Formula: C34H54O8
Molecular Weight: 590.789061
Exact Mass: 590.381869
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ciavatta, M.L., Scognamiglio, G., Trivellone, E., Bisogno, T., Cimino, G. Tetrahedron (2002) 58, 4943-8
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) | 82.6 |
| 3 (C) | 217.3 |
| 4 (CH2) | 34.9 |
| 5 (CH2) | 40.4 |
| 6 (C) | 42.1 |
| 7 (CH) | 80.5 |
| 8 (CH2) | 30.2 |
| 9 (CH2) | 35.2 |
| 10 (C) | 86.4 |
| 11 (CH) | 55.5 |
| 12 (CH2) | 27.9 |
| 13 (CH2) | 28.9 |
| 14 (CH) | 57.7 |
| 15 (C) | 83.6 |
| 16 (CH2) | 32.8 |
| 17 (CH2) | 26.4 |
| 18 (CH) | 80.8 |
| 19 (C) | 42 |
| 20 (CH2) | 39.9 |
| 21 (CH2) | 34.9 |
| 22 (C) | 217.6 |
| 23 (C) | 82.7 |
| 24 (CH3) | 20.4 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 12.3 |
| 27 (CH3) | 19.8 |
| 28 (CH3) | 24.6 |
| 29 (CH3) | 12.2 |
| 30 (CH3) | 26.4 |
| 31 (CH3) | 20.4 |
| 10a (C) | 169.8 |
| 10b (CH3) | 22.8 |
| 15a (C) | 169.7 |
| 15b (CH3) | 22.3 |
