Spektraris NMR
Plagiochiline P
Common Name: Plagiochiline P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-11-7-17(25)19-20(21(19,6)10-28-15(5)24)18(12(2)8-26-13(3)22)16(11)9-27-14(4)23/h16-20,25H,1-2,7-10H2,3-6H3/t16-,17+,18-,19-,20+,21+/m0/s1
InChIKey: InChIKey=FQGKQKXRLLNYHA-NXMWLWCLSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
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) | 47.7 |
| 2 (CH2) | 62.2 |
| 3 (CH2) | 66.4 |
| 4 (C) | 146.4 |
| 5 (CH) | 40.6 |
| 6 (CH) | 22 |
| 7 (CH) | 31.8 |
| 8 (CH) | 69.1 |
| 9 (CH2) | 44 |
| 10 (C) | 144.8 |
| 11 (C) | 23.2 |
| 12 (CH2) | 73.3 |
| 13 (CH3) | 10.2 |
| 14 (CH2) | 116.9 |
| 15 (CH2) | 114.2 |
| 2a (C) | 171.1 |
| 2b (CH3) | 20.8 |
| 3a (C) | 171.2 |
| 3b (CH3) | 20.8 |
| 12a (C) | 171.2 |
| 12b (CH3) | 20.8 |
