Spektraris NMR
Roldehrenbergin D
Common Name: Roldehrenbergin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-7-11(2)19(25)29-18(17-12(3)20(26)30-21(17)27)22(6)13(4)16(28-14(5)24)9-8-15(22)10-23/h7,10,13,15-16,18,20,26H,8-9H2,1-6H3/b11-7-/t13-,15-,16-,18+,20-,22+/m0/s1
InChIKey: InChIKey=RRNJHEMNHGLOIW-GTWHXRNPSA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - PÈrez-Castorena, A.L., Arciniegas, A., Hern·ndez, M.L., Toscano, R.A., Contreras, J.L., Vivar, A.R.d. J Mexican Chem Soc (2006) 50, 157-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 18.6 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 73.1 |
| 4 (CH) | 38 |
| 5 (C) | 44.9 |
| 6 (CH) | 73.4 |
| 7 (C) | 125.6 |
| 8 (C) | 169.7 |
| 9 (CH) | 205.7 |
| 10 (CH) | 52.7 |
| 11 (C) | 162.4 |
| 12 (CH) | 97.6 |
| 13 (CH3) | 13.2 |
| 14 (CH3) | 14.4 |
| 15 (CH3) | 12.8 |
| 3a (C) | 170.5 |
| 3b (CH3) | 20.5 |
| 6a (C) | 166.6 |
| 6b (C) | 126.5 |
| 6c (CH) | 141.4 |
| 6d (CH3) | 15.8 |
| 6ba (CH3) | 20.5 |
