Spektraris NMR
(8S)-7, 8-Dihydro-6-oxo-tingenol
Common Name: (8S)-7, 8-Dihydro-6-oxo-tingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12,15,21-22,30,32H,7-11,13-14H2,1-6H3/t15-,21-,22+,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=RKKYEEPDFKREFN-XUBKHCKZSA-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) | 107 |
| 2 (C) | 147.9 |
| 3 (C) | 140.2 |
| 4 (C) | 126.7 |
| 5 (C) | 125 |
| 6 (C) | 200.6 |
| 7 (CH2) | 37.3 |
| 8 (CH) | 42.3 |
| 9 (C) | 37.1 |
| 10 (C) | 152.7 |
| 11 (CH2) | 32.9 |
| 12 (CH2) | 31.8 |
| 13 (C) | 39.9 |
| 14 (C) | 39.4 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 35.3 |
| 17 (C) | 38.3 |
| 18 (CH) | 43.9 |
| 19 (CH2) | 32.2 |
| 20 (CH) | 42 |
| 21 (C) | 214.4 |
| 22 (CH2) | 53.6 |
| 23 (CH3) | 13.6 |
| 25 (CH3) | 26.3 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 32.7 |
| 30 (CH3) | 15 |
