Spektraris NMR
Oregonene B
Common Name: Oregonene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7+/t14-,15-,16+,17-,18?,19-,20?,21?/m1/s1
InChIKey: InChIKey=RFFYIBOJHUSIGD-OWYMLHNSSA-N
Formula: C21H36O10
Molecular Weight: 448.50537
Exact Mass: 448.230847
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Bredenkamp, M.W., Drewes, S.E., Wentler, G.L. Phytochemistry (1989) 28, 263-5
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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) | 64.5 |
| 2 (CH) | 119.8 |
| 3 (C) | 143 |
| 4 (CH2) | 39.8 |
| 5 (CH2) | 26.7 |
| 6 (CH) | 124.7 |
| 7 (C) | 132.2 |
| 8 (CH3) | 25.9 |
| 9 (CH3) | 17.9 |
| 10 (CH3) | 16.4 |
| 1' (CH) | 101.3 |
| 2' (CH) | 73.6 |
| 3' (CH) | 76.5 |
| 4' (CH) | 69.9 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 67.7 |
| 1'' (CH) | 109.6 |
| 2'' (CH) | 75.3 |
| 3'' (C) | 79.9 |
| 4'' (CH2) | 74.2 |
| 5'' (CH2) | 65.9 |
