Spektraris NMR
Pachysonol
Common Name: Pachysonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-20(31)9-10-21-26(19,4)12-11-22-27(21,5)15-16-29(7)23-17-25(2,3)13-14-28(23,6)24(32)18-30(22,29)8/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24-,26+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=GGDFIZOYFMCDQU-NOSHHMIYSA-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) | 212.5 |
| 4 (CH) | 58.3 |
| 5 (C) | 42.3 |
| 6 (CH2) | 41.4 |
| 7 (CH2) | 18.6 |
| 8 (CH) | 53.5 |
| 9 (C) | 37.6 |
| 10 (CH) | 59.7 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 30.8 |
| 13 (C) | 39.3 |
| 14 (C) | 40.1 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 75.6 |
| 17 (C) | 32.1 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 35.8 |
| 20 (C) | 28 |
| 21 (CH2) | 32.1 |
| 22 (CH2) | 36 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 18.2 |
| 26 (CH3) | 20.1 |
| 27 (CH3) | 21.5 |
| 28 (CH3) | 24.9 |
| 29 (CH3) | 30.8 |
| 30 (CH3) | 35.5 |
