Spektraris NMR
Roldehrenbergin C
Common Name: Roldehrenbergin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-10(2)18(24)28-17(16-11(3)19(25)29-20(16)26)21(6)12(4)15(27-13(5)23)8-7-14(21)9-22/h9-10,12,14-15,17,19,25H,7-8H2,1-6H3/t12-,14-,15-,17+,19-,21+/m0/s1
InChIKey: InChIKey=AQPKENNMBQXHGJ-VPFZIOICSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
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) | 28.5 |
| 3 (CH) | 73.1 |
| 4 (CH) | 38.2 |
| 5 (C) | 45 |
| 6 (CH) | 73.9 |
| 7 (C) | 126 |
| 8 (C) | 169.9 |
| 9 (CH) | 205.4 |
| 10 (CH) | 52.9 |
| 11 (C) | 163.2 |
| 12 (CH) | 98 |
| 13 (CH3) | 13.3 |
| 14 (CH3) | 14.5 |
| 15 (CH3) | 12.9 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.5 |
| 6a (C) | 176.3 |
| 6b (CH) | 34 |
| 6c (CH3) | 18.8 |
| 6ba (CH3) | 18.8 |
