Spektraris NMR
Orizaterpenoid
Common Name: Orizaterpenoid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O3/c1-7-8-9-11-19(2)12-10-13-20(3)14-15-22-21(4)23-18-24-27(22,5)17-16-25(29)28(24,6)26(30)31-23/h9,11,18-23H,7-8,10,12-17H2,1-6H3/b11-9+/t19-,20-,21+,22-,23+,27+,28-/m0/s1
InChIKey: InChIKey=XRPNJEUKGXCPEX-ULKKOIJZSA-N
Formula: C28H44O3
Molecular Weight: 428.648213
Exact Mass: 428.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chung, I.M., Ali, M., Hahn, S.J., Siddiqui, N.A., Lim, Y.H., Ahmad, A. Chem Nat Compd (2005) 41, 182-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 38.77 |
| 2 (CH2) | 40.67 |
| 3 (C) | 200.76 |
| 4 (C) | 56.21 |
| 5 (C) | 138.31 |
| 6 (CH) | 129.68 |
| 7 (CH) | 73.4 |
| 8 (CH) | 42.71 |
| 9 (CH) | 56.09 |
| 10 (C) | 51.44 |
| 11 (CH2) | 23.27 |
| 12 (CH2) | 24.35 |
| 13 (CH) | 46.03 |
| 14 (CH2) | 26.29 |
| 15 (CH2) | 28.38 |
| 16 (CH2) | 29.35 |
| 17 (CH) | 53.85 |
| 18 (CH) | 126.46 |
| 19 (CH) | 126.25 |
| 20 (CH2) | 39.81 |
| 21 (CH2) | 21.38 |
| 22 (CH3) | 12.17 |
| 23 (C) | 168.91 |
| 24 (CH3) | 20.01 |
| 25 (CH3) | 19.69 |
| 26 (CH3) | 20.71 |
| 27 (CH3) | 19.23 |
| 28 (CH3) | 18.93 |
