Spektraris NMR
Pulchellamine C
Common Name: Pulchellamine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H33NO9/c1-11-7-17(33-23(31)24(3,32)10-26)19-14(9-25-6-4-5-15(25)21(28)29)22(30)34-20(19)18-12(2)16(27)8-13(11)18/h13-20,26-27,32H,1-2,4-10H2,3H3,(H,28,29)/t13-,14-,15-,16-,17-,18-,19+,20+,24?/m0/s1
InChIKey: InChIKey=KWZLUCYNSJBNBE-MHBPFLHQSA-N
Formula: C24H33N1O9
Molecular Weight: 479.521094
Exact Mass: 479.215532
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, M.C., Choi, S.U., Choi, W.S., Kim, S.Y., Lee, K.R. J Nat Prod (2008) 71, 678-83
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 42.9 |
| 2 (CH2) | 39.7 |
| 3 (CH) | 73.1 |
| 4 (C) | 155.5 |
| 5 (CH) | 50.9 |
| 6 (CH) | 80.8 |
| 7 (CH) | 46 |
| 8 (CH) | 77.9 |
| 9 (CH2) | 42.9 |
| 10 (C) | 144.5 |
| 11 (CH) | 46.7 |
| 12 (C) | 178.5 |
| 13 (CH2) | 55.3 |
| 14 (CH2) | 116.7 |
| 15 (CH2) | 109 |
| 1' (C) | 177.2 |
| 2' (CH) | 68.8 |
| 3' (CH2) | 30.5 |
| 4' (CH2) | 25.1 |
| 5' (CH2) | 55.5 |
| 8a (C) | 176.2 |
| 8b (C) | 77.2 |
| 8c (CH2) | 69.8 |
| 8ba (CH3) | 23.2 |
