Spektraris NMR
Taraxasterol
Common Name: Taraxasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=XWMMEBCFHUKHEX-ZJJHUPNDSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reynolds W. F., McLean S., Poplawski J., Eniquez R. G., Escobar L. I., Leon I. Tetrahedron (1986) 42, 3419
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.8 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 39.2 |
| 14 (C) | 42 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 38.3 |
| 17 (C) | 34.5 |
| 18 (CH) | 48.7 |
| 19 (CH) | 39.4 |
| 20 (C) | 154.6 |
| 21 (CH2) | 25.6 |
| 22 (CH2) | 38.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.8 |
| 28 (CH3) | 19.5 |
| 29 (CH3) | 25.5 |
| 30 (CH2) | 107.2 |
