Spektraris NMR
11a,12a-Oxidotaraxerol
Common Name: 11a,12a-Oxidotaraxerol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)15-16-27(5)12-9-19-29(7)13-10-18-26(3,4)21(31)11-14-28(18,6)23(29)22-24(32-22)30(19,8)20(27)17-25/h9,18,20-24,31H,10-17H2,1-8H3/t18-,20+,21-,22-,23+,24-,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=FNECMQBEDLKOGE-FEULVJOGSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Usmanghani K., Bano Z., Rizwani G.H., Ahmad M., Ahmad V.U. Fitoterapia (1989) 60, 351
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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 (CH2) | 38.2 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 79 |
| 4 (C) | 38.7 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.2 |
| 8 (C) | 38.9 |
| 9 (CH) | 52 |
| 10 (C) | 37.5 |
| 11 (CH) | 53.6 |
| 12 (CH) | 58.3 |
| 13 (C) | 36.6 |
| 14 (C) | 157.1 |
| 15 (CH) | 118.9 |
| 16 (CH2) | 35.2 |
| 17 (C) | 35.4 |
| 18 (CH) | 48.1 |
| 19 (CH2) | 40.3 |
| 20 (C) | 28.7 |
| 21 (CH2) | 36.6 |
| 22 (CH2) | 38.2 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 17 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 27.1 |
| 27 (CH3) | 30.2 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 33.7 |
| 30 (CH3) | 19.6 |
