Spektraris NMR
Hop-21-ene
Common Name: Hop-21-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h22-25H,9-19H2,1-8H3/t22-,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=CBZFLMNNXKRPHN-WKOWXSQSSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A. L., Bird P. W., Jager P. M. Magn Reson Chem (1987) 25, 503
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.4 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 41.7 |
| 9 (CH) | 51 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 42.8 |
| 14 (C) | 42.1 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 49.4 |
| 18 (C) | 44.3 |
| 19 (CH2) | 41.4 |
| 20 (CH2) | 28.4 |
| 21 (C) | 140.4 |
| 22 (C) | 122.7 |
| 23 (CH3) | 33.5 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 20.7 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 23 |
| 29 (CH3) | 21 |
| 30 (CH3) | 21.5 |
