Spektraris NMR
(7S, 8S)-7-Hydroxy-7, 8- dihydro-tingenone
Common Name: (7S, 8S)-7-Hydroxy-7, 8- dihydro-tingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O4/c1-15-11-22-25(3,14-21(15)31)7-9-28(6)24-20(30)12-17-16(2)23(32)19(29)13-18(17)26(24,4)8-10-27(22,28)5/h12-13,15,20,22,24,30,32H,7-11,14H2,1-6H3/t15-,20-,22-,24+,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=HVRSOVWJUJGHSI-GNKJXEIUSA-N
Formula: C28H38O4
Molecular Weight: 438.599973
Exact Mass: 438.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. J Nat Prod (1999) 62, 434-6
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) | 116.9 |
| 2 (C) | 181.3 |
| 3 (C) | 145.7 |
| 4 (C) | 117.6 |
| 5 (C) | 131.2 |
| 6 (CH) | 143.7 |
| 7 (CH) | 69.5 |
| 8 (CH) | 53.3 |
| 9 (C) | 40.5 |
| 10 (C) | 162.2 |
| 11 (CH2) | 31.6 |
| 12 (CH2) | 30.9 |
| 13 (C) | 39.4 |
| 14 (C) | 41.6 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 35.6 |
| 17 (C) | 38 |
| 18 (CH) | 44 |
| 19 (CH2) | 31.9 |
| 20 (CH) | 42.2 |
| 21 (C) | 214 |
| 22 (CH2) | 53.2 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 27.4 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 18.5 |
| 28 (CH3) | 32.6 |
| 30 (CH3) | 15.2 |
