Spektraris NMR
Friedelan-29-ol-3-ona
Common Name: Friedelan-29-ol-3-ona
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,25+,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=NAOCHKKFDYTOII-MGIZKUGISA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A. , Chaudhuri S. K. Magn Reson Chem (1987) 25, 95
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) | 22.3 |
| 2 (CH2) | 41.6 |
| 3 (C) | 212.2 |
| 4 (CH) | 58.3 |
| 5 (C) | 42.2 |
| 6 (CH2) | 41.4 |
| 7 (CH2) | 18.3 |
| 8 (CH) | 53.5 |
| 9 (C) | 37.5 |
| 10 (CH) | 59.6 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 29.8 |
| 13 (C) | 40 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 36 |
| 17 (C) | 29.8 |
| 18 (CH) | 42 |
| 19 (CH2) | 30.6 |
| 20 (C) | 33.2 |
| 21 (CH2) | 27.9 |
| 22 (CH2) | 39.6 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 18 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 32.1 |
| 29 (CH2) | 74.8 |
| 30 (CH3) | 25.9 |
