Spektraris NMR
Preoleanatetraene
Common Name: Preoleanatetraene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-27-26(5)18-19-30(8)21-20-29(6,7)22-28(27)30/h12,14,16,28H,9-11,13,15,17-22H2,1-8H3/b24-14+,25-16+/t28-,30-/m0/s1
InChIKey: InChIKey=NHVDFWJNPPZOPG-LEPBEUNVSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arai, Y., Hirohara, M., Ogawa, R., Masuda, K., Shiojima, K., Ageta, H., Chang, H.-C., Chen, Y.-P. Tetrahedron Lett (1996) 37, 4381-84
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) | 39.75 |
| 2 (CH2) | 26.77 |
| 3 (CH) | 124.29 |
| 4 (C) | 131.27 |
| 5 (CH) | 124.41 |
| 6 (CH2) | 27.16 |
| 7 (CH2) | 39.74 |
| 8 (C) | 134.93 |
| 9 (CH) | 124.29 |
| 10 (C) | 134.81 |
| 11 (CH2) | 26.63 |
| 12 (CH2) | 29.5 |
| 13 (C) | 123.87 |
| 14 (C) | 133.62 |
| 15 (CH2) | 31.69 |
| 16 (CH2) | 26.51 |
| 17 (C) | 31.41 |
| 18 (CH) | 42.26 |
| 19 (CH2) | 42.95 |
| 20 (C) | 31.03 |
| 21 (CH2) | 34.61 |
| 22 (CH2) | 36.56 |
| 23 (CH3) | 25.71 |
| 24 (CH3) | 17.69 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.97 |
| 27 (CH3) | 18.64 |
| 28 (CH3) | 26.98 |
| 29 (CH3) | 33.18 |
| 30 (CH3) | 24.21 |
