Spektraris NMR
Isomotiol
Common Name: Isomotiol
Synonyms: Isomotiol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23+,24-,25+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=LUZUHPHTXSGDDD-PWKXLIGRSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Matsunaga S. Phytochemistry (1989) 28, 3149
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 35.5 |
| 2 (CH2) | 28 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 27.2 |
| 8 (C) | 134.3 |
| 9 (C) | 134.3 |
| 10 (C) | 37.6 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 30.3 |
| 13 (C) | 41.1 |
| 14 (C) | 36.7 |
| 15 (CH2) | 27 |
| 16 (CH2) | 35.9 |
| 17 (C) | 42.9 |
| 18 (CH) | 52.8 |
| 19 (CH2) | 18.9 |
| 20 (CH2) | 28.4 |
| 21 (CH) | 59.8 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 22.1 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 15.8 |
| 28 (CH3) | 14.6 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 22.1 |
