Spektraris NMR
Nepehinol
Common Name: Nepehinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=MQYXUWHLBZFQQO-CWFQSGEHSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad V. U., Bano S., Mohanunad F. V. Planta Med (1985) 0, 521
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 36.8 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 34.8 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 30.6 |
| 17 (C) | 43 |
| 18 (CH) | 50.6 |
| 19 (CH) | 44.7 |
| 20 (C) | 150.4 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 41.3 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 25.1 |
| 29 (CH2) | 108.9 |
| 30 (CH3) | 20.5 |
