Spektraris NMR
4,21-Dioxo-raspacionin
Common Name: 4,21-Dioxo-raspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/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/h22-23,26-27H,1,10-19H2,2-9H3/t22-,23+,26+,27+,30+,31+,32-/m1/s1
InChIKey: InChIKey=HRSQFFHMVXOYJN-QXKRAGCLSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
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 |
| 3 (C) | 217 |
| 4 (CH2) | 26 |
| 5 (CH2) | 39.4 |
| 6 (C) | 42.5 |
| 7 (CH) | 80.4 |
| 8 (CH2) | 33.2 |
| 9 (CH2) | 35.7 |
| 10 (C) | 146.6 |
| 11 (CH) | 53.5 |
| 12 (CH2) | 27.8 |
| 13 (CH2) | 25.4 |
| 14 (CH) | 57.7 |
| 15 (C) | 84 |
| 16 (CH2) | 32.6 |
| 17 (CH2) | 26.4 |
| 18 (CH) | 80.8 |
| 19 (C) | 42.1 |
| 20 (CH2) | 39.7 |
| 21 (CH2) | 35.7 |
| 22 (C) | 217.6 |
| 23 (C) | 82.3 |
| 24 (CH3) | 20.4 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 12.2 |
| 27 (CH2) | 107.5 |
| 28 (CH3) | 24.8 |
| 29 (CH3) | 12.1 |
| 30 (CH3) | 20.4 |
| 31 (CH3) | 26.4 |
| 15a (C) | 170.1 |
| 15b (CH3) | 22.5 |
