Spektraris NMR
3-(Trimethylsilyloxy)friedelane-2-ene
Common Name: 3-(Trimethylsilyloxy)friedelane-2-ene
Synonyms: 3-(Trimethylsilyloxy)friedelane-2-ene
CAS Registry Number:
InChI: InChI=1S/C33H58OSi/c1-23-24(34-35(9,10)11)12-13-25-30(23,5)15-14-26-31(25,6)19-21-33(8)27-22-28(2,3)16-17-29(27,4)18-20-32(26,33)7/h12,23,25-27H,13-22H2,1-11H3/t23-,25+,26-,27+,29+,30+,31-,32+,33-/m0/s1
InChIKey: InChIKey=VVWWGEUJBVMGHU-GEYAYTKPSA-N
Formula: C33H58O1S1
Molecular Weight: 502.880338
Exact Mass: 502.420837
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 (CH2) | 20.8 |
| 2 (CH) | 102.5 |
| 3 (C) | 151.3 |
| 4 (CH) | 49.3 |
| 5 (C) | 36.7 |
| 6 (CH2) | 41.8 |
| 7 (CH2) | 18.4 |
| 8 (CH) | 53 |
| 9 (C) | 36.8 |
| 10 (CH) | 55.9 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.4 |
| 13 (C) | 39.7 |
| 14 (C) | 38.2 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.1 |
| 18 (CH) | 42.9 |
| 19 (CH2) | 35.4 |
| 20 (C) | 28.2 |
| 21 (CH2) | 32.5 |
| 22 (CH2) | 39.3 |
| 23 (CH3) | 9.9 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 20.4 |
| 28 (CH3) | 32.1 |
| 29 (CH3) | 31.9 |
| 30 (CH3) | 35 |
| 3a (CH3) | 0.3 |
| 3b (CH3) | 0.3 |
| 3c (CH3) | 0.3 |
