Spektraris NMR
4a-hydroxy-tingenone
Common Name: 4a-hydroxy-tingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O4/c1-16-13-22-24(2,15-20(16)30)9-11-26(4)21-8-7-17-18(14-19(29)23(31)28(17,6)32)25(21,3)10-12-27(22,26)5/h7-8,14,16,22,32H,9-13,15H2,1-6H3/t16-,22-,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=CNNCPCTZLORZAI-AIXFOSFBSA-N
Formula: C28H36O4
Molecular Weight: 436.584092
Exact Mass: 436.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Alvarenga, N.L., EstevezBraun, A., Ravelo, A.G., Estevez Reyes, R. Tetrahedron (1996) 52, 10667-72
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) | 123.1 |
| 2 (C) | 183.1 |
| 3 (C) | 199.2 |
| 4 (C) | 81.1 |
| 5 (C) | 133.8 |
| 6 (CH) | 126.3 |
| 7 (CH) | 116.3 |
| 8 (C) | 161.1 |
| 9 (C) | 42.1 |
| 10 (C) | 174.7 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 32.1 |
| 13 (C) | 39.4 |
| 14 (C) | 44.4 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 35.4 |
| 17 (C) | 38.2 |
| 18 (CH) | 41.9 |
| 19 (CH2) | 29.8 |
| 20 (CH) | 43.4 |
| 21 (C) | 213.16 |
| 22 (CH2) | 52.5 |
| 23 (CH3) | 26.8 |
| 25 (CH3) | 35.2 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 15.1 |
| 28 (CH3) | 19.7 |
| 30 (CH3) | 32.5 |
