Spektraris NMR
Plagiochiline 0
Common Name: Plagiochiline 0
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O8/c1-10-6-15(25)18-19(21(18,5)9-28-12(3)23)17-14(7-26-11(2)22)8-27-20(16(10)17)29-13(4)24/h8,15-20,25H,1,6-7,9H2,2-5H3/t15-,16+,17+,18+,19-,20-,21-/m1/s1
InChIKey: InChIKey=FOECWOWXOWQSLT-GTNVEZLYSA-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) | 49.7 |
| 2 (CH) | 90.6 |
| 3 (CH) | 140.5 |
| 4 (C) | 115.5 |
| 5 (CH) | 33.3 |
| 6 (CH) | 25 |
| 7 (CH) | 33.3 |
| 8 (CH) | 64.4 |
| 9 (CH2) | 45.4 |
| 10 (C) | 143 |
| 11 (C) | 23.3 |
| 12 (CH2) | 73.2 |
| 13 (CH3) | 11.4 |
| 14 (CH2) | 119.9 |
| 15 (CH2) | 62.7 |
| 2a (C) | 169.4 |
| 2b (CH3) | 20.8 |
| 12a (C) | 170.7 |
| 12b (CH3) | 20.8 |
| 15a (C) | 171 |
| 15b (CH3) | 20.9 |
