Spektraris NMR
20-Hydroxytingenone
Common Name: 20-Hydroxytingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=LLINHWDEBZOLGN-UNQYGWCUSA-N
Formula: C28H36O4
Molecular Weight: 436.584092
Exact Mass: 436.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gunatilaka A. A. L., Fernando C., Kikuchi T., Tezuka Y. Magn Reson Chem (1989) 27, 803
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 |
|---|---|
| 1 (CH) | 119.8 |
| 2 (C) | 178.4 |
| 3 (C) | 146.2 |
| 4 (C) | 117.1 |
| 5 (C) | 127.9 |
| 6 (CH) | 133.3 |
| 7 (CH) | 118.3 |
| 8 (C) | 168.7 |
| 9 (C) | 42.9 |
| 10 (C) | 164.2 |
| 11 (CH2) | 33.2 |
| 12 (CH2) | 29.9 |
| 13 (C) | 40 |
| 14 (C) | 44.2 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 35.7 |
| 17 (C) | 35.9 |
| 18 (CH) | 43.3 |
| 19 (CH2) | 36.9 |
| 20 (C) | 73.7 |
| 21 (C) | 214.5 |
| 22 (CH2) | 50.5 |
| 23 (CH3) | 10.3 |
| 25 (CH3) | 38.5 |
| 26 (CH3) | 23.3 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 33.2 |
| 30 (CH3) | 29 |
