Spektraris NMR
Pulchellamine E
Common Name: Pulchellamine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H29NO6/c1-8(2)17(19(24)25)21-7-12-16-14(23)5-9(3)11-6-13(22)10(4)15(11)18(16)27-20(12)26/h8,11-18,21-23H,3-7H2,1-2H3,(H,24,25)/t11-,12-,13-,14-,15-,16+,17-,18+/m0/s1
InChIKey: InChIKey=NNBPMFMHJCFBIS-WLEINZGESA-N
Formula: C20H29N1O6
Molecular Weight: 379.448172
Exact Mass: 379.199488
NMR Solvent: DMSO-d6
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) | 43.8 |
| 2 (CH2) | 38.1 |
| 3 (CH) | 71.6 |
| 4 (C) | 154.1 |
| 5 (CH) | 48.3 |
| 6 (CH) | 78.7 |
| 7 (CH) | 54.2 |
| 8 (CH) | 72.4 |
| 9 (CH2) | 46.2 |
| 10 (C) | 144.5 |
| 11 (CH) | 48.5 |
| 12 (C) | 175.9 |
| 13 (CH2) | 48.5 |
| 14 (CH2) | 114.3 |
| 15 (CH2) | 108.7 |
| 13a (CH) | 67.6 |
| 13b (CH) | 22 |
| 13c (CH3) | 19.2 |
| 13aa (C) | 173.6 |
| 13ba (CH3) | 18.3 |
