Spektraris NMR
a-Polypodatetraene
Common Name: a-Polypodatetraene
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/h13,15,17,27-28H,5,9-12,14,16,18-22H2,1-4,6-8H3/b24-15+,25-17+/t27-,28?,30+/m0/s1
InChIKey: InChIKey=IPRRCLUFQNXFGA-TUXPUSHSSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima, K., Arai, Y., Masuda, K., Kamada, T., Ageta, H. Tetrahedron Lett (1983) 24, 5733-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Polypodanes; 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) | 39.1 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148.4 |
| 9 (CH) | 56.2 |
| 10 (C) | 39.6 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 29.7 |
| 13 (CH) | 125.1 |
| 14 (C) | 134.8 |
| 15 (CH2) | 39.8 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 124.3 |
| 18 (C) | 134.8 |
| 19 (CH2) | 39.8 |
| 20 (CH2) | 26.8 |
| 21 (CH) | 124.4 |
| 22 (C) | 131.1 |
| 23 (CH3) | 33.6 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 14.5 |
| 26 (CH2) | 106.1 |
| 27 (CH3) | 16 |
| 28 (CH3) | 16 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 25.7 |
