Spektraris NMR
8,14-Seco-5alpha-gammacera-7,14(27)-diene
Common Name: 8,14-Seco-5alpha-gammacera-7,14(27)-diene
Synonyms: 8,14-Seco-5alpha-gammacera-7,14(27)-diene
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-21-11-15-25-27(3,4)17-9-19-29(25,7)23(21)13-14-24-22(2)12-16-26-28(5,6)18-10-20-30(24,26)8/h12,23-26H,1,9-11,13-20H2,2-8H3/t23-,24-,25-,26-,29+,30+/m0/s1
InChIKey: InChIKey=PWQLRBFAFHCMRA-NJCGARBWSA-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 : Onoceranes; 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) | 39.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 121.9 |
| 8 (C) | 135.7 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 26 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 57.5 |
| 14 (C) | 148.9 |
| 15 (CH2) | 38.4 |
| 16 (CH2) | 24.6 |
| 17 (CH) | 55.7 |
| 18 (C) | 39.6 |
| 19 (CH2) | 39.2 |
| 20 (CH2) | 19.5 |
| 21 (CH2) | 42.3 |
| 22 (C) | 33.6 |
| 23 (CH3) | 33.2 |
| 24 (CH3) | 21.9 |
| 25 (CH3) | 13.6 |
| 26 (CH3) | 22.5 |
| 27 (CH2) | 106.3 |
| 28 (CH3) | 14.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 33.6 |
