Spektraris NMR
Pichierenyl acetate
Common Name: Pichierenyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(33)34-26-15-17-29(6)22-14-18-32(9)25-11-10-16-27(2,3)31(25,8)20-19-30(32,7)23(22)12-13-24(29)28(26,4)5/h14,23-26H,10-13,15-20H2,1-9H3/t23-,24-,25+,26-,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=UAUCHCSYYNBVAC-QQXKENJMSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima Y., Masuda K., Ooishi Y., Suzuki H., Ageta H. Tetrahedron Lett (1989) 30, 6873
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedogammaceranes; 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) | 39.1 |
| 2 (CH2) | 24.7 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.6 |
| 5 (CH) | 44.6 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 19 |
| 8 (CH) | 40.3 |
| 9 (C) | 150.2 |
| 10 (C) | 37.3 |
| 11 (CH) | 116.7 |
| 12 (CH2) | 37.2 |
| 13 (C) | 37.2 |
| 14 (C) | 38.2 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 37.6 |
| 17 (C) | 38.2 |
| 18 (CH) | 41.2 |
| 19 (CH2) | 23.3 |
| 20 (CH2) | 21.8 |
| 21 (CH2) | 27.9 |
| 22 (C) | 39.3 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 25.3 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 23 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 25.3 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
