Spektraris NMR
3-acetoxyfriedel-3-en-2-one
Common Name: 3-acetoxyfriedel-3-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h21-23,32H,9-18H2,1-8H3/t21-,22+,23+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=QEACUYQTRMGOSD-MZRSIZMESA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
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) | 32 |
| 2 (C) | 194.9 |
| 3 (C) | 142.5 |
| 4 (C) | 140.6 |
| 5 (C) | 39.7 |
| 6 (CH2) | 38.4 |
| 7 (CH2) | 17.9 |
| 8 (CH) | 52.6 |
| 9 (C) | 36.7 |
| 10 (CH) | 55.7 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.6 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 35.9 |
| 17 (C) | 30 |
| 18 (CH) | 42.8 |
| 19 (CH2) | 35.3 |
| 20 (C) | 28.1 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 10.3 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 18.4 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 20 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 34.9 |
