Spektraris NMR
γ-Polypodaetraene
Common Name: γ-Polypodaetraene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-18-27-26(5)19-20-28-29(6,7)21-12-22-30(27,28)8/h13,15,17,19,27-28H,9-12,14,16,18,20-22H2,1-8H3/b24-15+,25-17+/t27?,28-,30+/m0/s1
InChIKey: InChIKey=HPKNCAAZGBOERA-QJQVHWBRSA-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) | 26.79 |
| 3 (CH) | 124.41 |
| 4 (C) | 131.26 |
| 5 (CH) | 124.27 |
| 6 (CH2) | 26.69 |
| 7 (CH2) | 39.75 |
| 8 (C) | 134.95 |
| 9 (CH) | 124.83 |
| 10 (C) | 134.95 |
| 11 (CH2) | 30.25 |
| 12 (CH2) | 27.33 |
| 13 (CH) | 54.25 |
| 14 (C) | 135.62 |
| 15 (CH) | 122.06 |
| 16 (CH2) | 23.85 |
| 17 (CH) | 50.18 |
| 18 (C) | 36.73 |
| 19 (CH2) | 39.22 |
| 20 (CH2) | 18.85 |
| 21 (CH2) | 34.61 |
| 22 (C) | 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 |
