Spektraris NMR
Friedelane-1-ene-3-one
Common Name: Friedelane-1-ene-3-one
Synonyms: Friedelane-1-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h9-10,20,22-24H,11-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=MBWGRAHRCWMYAX-SVRPQWSVSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moiteiro, C., Justino, F., Tavares, R., Marcelo-Curto, M.J., Florencio, M.H., Nascimento, M.S., Pedro, M., Cerqueira, F., Pinto, M.M. J Nat Prod (2001) 64, 1273-7
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 (CH) | 130.3 |
| 2 (CH) | 148.7 |
| 3 (C) | 201.4 |
| 4 (CH) | 57.9 |
| 5 (C) | 43.7 |
| 6 (CH2) | 40 |
| 7 (CH2) | 18.6 |
| 8 (CH) | 52.5 |
| 9 (C) | 36.8 |
| 10 (CH) | 62.4 |
| 11 (CH2) | 35.5 |
| 12 (CH2) | 30.3 |
| 13 (C) | 40.1 |
| 14 (C) | 38.4 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.1 |
| 18 (CH) | 43.1 |
| 19 (CH2) | 35 |
| 20 (C) | 28.2 |
| 21 (CH2) | 33 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 6.6 |
| 24 (CH3) | 13.8 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 19.8 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 32.2 |
| 29 (CH3) | 31.8 |
| 30 (CH3) | 34.9 |
