Spektraris NMR
Plagiochiline R
Common Name: Plagiochiline R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O8/c1-11(22)25-7-14-8-26-19(29-13(3)24)18-16(14)17-15(5-6-21(18)10-28-21)20(17,4)9-27-12(2)23/h8,15-19H,5-7,9-10H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+/m0/s1
InChIKey: InChIKey=JHVOFEZRFCOCHL-GHDISZFOSA-N
Formula: C21H28O8
Molecular Weight: 408.443034
Exact Mass: 408.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valcic, S., Zapp, J., Becker, H. Phytochemistry (1997) 44, 89-99
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (CH) | 49.6 |
| 2 (CH) | 91.6 |
| 3 (CH) | 140.4 |
| 4 (C) | 116 |
| 5 (CH) | 30.7 |
| 6 (CH) | 27.3 |
| 7 (CH) | 24.6 |
| 8 (CH2) | 21.2 |
| 9 (CH2) | 33.6 |
| 10 (C) | 59.9 |
| 11 (C) | 22.9 |
| 12 (CH2) | 73.8 |
| 13 (CH3) | 11.7 |
| 14 (CH2) | 51.4 |
| 15 (CH2) | 62.5 |
| 2a (C) | 169.5 |
| 2b (CH3) | 20.8 |
| 12a (C) | 170.7 |
| 12b (CH3) | 20.9 |
| 15a (C) | 171 |
| 15b (CH3) | 21.2 |
