Spektraris NMR
beta-Amyrin
Common Name: beta-Amyrin
Synonyms: beta-Amyrin
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=JFSHUTJDVKUMTJ-QHPUVITPSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.D., Braga, P.A.D., Macedo, M.L., da Silva, M., Ferreira, A.G., Fernandes, J.B., Vieira, P.C. J Braz Chem Soc (2004) 15, 385-94
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.7 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.8 |
| 8 (C) | 38.8 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.6 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 121.8 |
| 13 (C) | 145.1 |
| 14 (C) | 41.8 |
| 15 (CH2) | 26.2 |
| 16 (CH2) | 27 |
| 17 (C) | 32.5 |
| 18 (CH) | 47.4 |
| 19 (CH2) | 46.9 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.8 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 26 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.7 |
