Spektraris NMR
Taraxerone
Common Name: Taraxerone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=DBCAVZSSFGIHQZ-YLAYQGCQSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakuri N., Yaguchi Y., Inoue T. Phytochemistry (1987) 26, 217
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) | 38.4 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.3 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 20 |
| 7 (CH2) | 35.2 |
| 8 (C) | 38.9 |
| 9 (CH) | 48.7 |
| 10 (C) | 37.6 |
| 11 (CH2) | 17.5 |
| 12 (CH2) | 35.8 |
| 13 (C) | 37.7 |
| 14 (C) | 157.6 |
| 15 (CH) | 117.2 |
| 16 (CH2) | 36.7 |
| 17 (C) | 37.7 |
| 18 (CH) | 48.8 |
| 19 (CH2) | 40.7 |
| 20 (C) | 28.8 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 33.1 |
| 23 (CH3) | 26.2 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 25.6 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 21.4 |
