Spektraris NMR
34,21-Dioxo-15-deacety1-raspacionin
Common Name: 34,21-Dioxo-15-deacety1-raspacionin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19-9-12-24-28(6,16-13-22(31)26(2,3)34-24)20(19)10-11-21-29(7)17-14-23(32)27(4,5)35-25(29)15-18-30(21,8)33/h20-22,24-25,31,33H,1,9-18H2,2-8H3/t20-,21+,22+,24+,25+,28+,29+,30-/m1/s1
InChIKey: InChIKey=ZQKFTUISFQCTJN-XJGPSFCVSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 77.7 |
| 3 (CH) | 76.7 |
| 4 (CH2) | 25.9 |
| 5 (CH2) | 33.9 |
| 6 (C) | 43.6 |
| 7 (CH) | 75.8 |
| 8 (CH2) | 33 |
| 9 (CH2) | 35.7 |
| 10 (C) | 147.1 |
| 11 (CH) | 53.6 |
| 12 (CH2) | 27.6 |
| 13 (CH2) | 25.9 |
| 14 (CH) | 55.3 |
| 15 (C) | 72.2 |
| 16 (CH2) | 39 |
| 17 (CH2) | 26.5 |
| 18 (CH) | 81.4 |
| 19 (C) | 42.5 |
| 20 (CH2) | 39.7 |
| 21 (CH2) | 35.1 |
| 22 (C) | 217.6 |
| 23 (C) | 82.3 |
| 24 (CH3) | 21.2 |
| 25 (CH3) | 29 |
| 26 (CH3) | 12.1 |
| 27 (CH2) | 107.3 |
| 28 (CH3) | 30.5 |
| 29 (CH3) | 12.1 |
| 30 (CH3) | 20.3 |
| 31 (CH3) | 26.5 |
