Spektraris NMR
30-Normoretane
Common Name: 30-Normoretane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h20-24H,8-19H2,1-7H3/t20-,21+,22+,23-,24-,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=XKJROQIFLGXWEY-LMDOITEXSA-N
Formula: C29H50
Molecular Weight: 398.708379
Exact Mass: 398.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pihlaja K., Mattinen J., Dombi G., Malinski E. Finn Chem Lett (1986) 13, 151
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) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.3 |
| 8 (C) | 42.4 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 48.5 |
| 14 (C) | 42 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 56.7 |
| 18 (C) | 44.5 |
| 19 (CH2) | 39.7 |
| 20 (CH2) | 27.9 |
| 21 (CH) | 41.8 |
| 22 (CH2) | 21 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 15.8 |
| 28 (CH3) | 15.2 |
| 29 (CH3) | 12.8 |
