Spektraris NMR
Friedelan-21-one
Common Name: Friedelan-21-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20-10-9-11-21-27(20,5)13-12-22-28(21,6)15-17-30(8)23-18-25(2,3)24(31)19-26(23,4)14-16-29(22,30)7/h20-23H,9-19H2,1-8H3/t20-,21+,22-,23+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=UJYPCVIWGVKLPN-BIPODXFLSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Mukhopadhyay A.K., Mitra A.K. Org Magn Reson (1981) 17, 166
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 20.8 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 30.9 |
| 4 (CH) | 46 |
| 5 (C) | 37.6 |
| 6 (CH2) | 41.4 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 53.4 |
| 9 (C) | 37.1 |
| 10 (CH) | 60.7 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 32.7 |
| 13 (C) | 38.2 |
| 14 (C) | 39.8 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 37 |
| 17 (C) | 33.2 |
| 18 (CH) | 41.9 |
| 19 (CH2) | 35.2 |
| 20 (C) | 42.7 |
| 21 (C) | 219.2 |
| 22 (CH2) | 55 |
| 23 (CH3) | 13.6 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 21.1 |
| 28 (CH3) | 33.5 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 25 |
