Spektraris NMR
6-Oxo-20-hydroxy-20-epi-tingenol
Common Name: 6-Oxo-20-hydroxy-20-epi-tingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-15-22-16(11-18(30)23(15)32)25(3)8-10-27(5)20-13-28(6,33)21(31)14-24(20,2)7-9-26(27,4)19(25)12-17(22)29/h11-12,20,30,32-33H,7-10,13-14H2,1-6H3/t20-,24+,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=IYRAUNZDUDIMRN-PHMAWBAJSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sotanaphun, U., Lipipun, V., Bovavada, R. Fitoterapia (2004) 75, 606-8
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) | 108.6 |
| 2 (C) | 148 |
| 3 (C) | 140.6 |
| 4 (C) | 125.4 |
| 5 (C) | 122.5 |
| 6 (C) | 187.6 |
| 7 (CH) | 126.1 |
| 8 (C) | 171.2 |
| 9 (C) | 40.1 |
| 10 (C) | 151.2 |
| 11 (CH2) | 33.8 |
| 12 (CH2) | 30 |
| 13 (C) | 39.6 |
| 14 (C) | 43.8 |
| 15 (CH2) | 29 |
| 16 (CH2) | 35.5 |
| 17 (C) | 36.2 |
| 18 (CH) | 43.3 |
| 19 (CH2) | 36.8 |
| 20 (C) | 73.8 |
| 21 (C) | 215 |
| 22 (CH2) | 50.2 |
| 23 (CH3) | 13.6 |
| 25 (CH3) | 37.9 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 33.1 |
| 29 (CH3) | 28.9 |
