Spektraris NMR
Pulchellamine G
Common Name: Pulchellamine G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H31NO6/c1-5-9(2)18(20(25)26)22-8-13-17-15(24)6-10(3)12-7-14(23)11(4)16(12)19(17)28-21(13)27/h9,12-19,22-24H,3-8H2,1-2H3,(H,25,26)/t9?,12-,13-,14-,15-,16-,17+,18-,19+/m0/s1
InChIKey: InChIKey=MMHJUQBMHBENCR-HDGXHUSZSA-N
Formula: C21H31N1O6
Molecular Weight: 393.47479
Exact Mass: 393.215138
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) | 42.5 |
| 2 (CH2) | 38.1 |
| 3 (CH) | 71.6 |
| 4 (C) | 154.1 |
| 5 (CH) | 48.4 |
| 6 (CH) | 78.5 |
| 7 (CH) | 55 |
| 8 (CH) | 72.4 |
| 9 (CH2) | 43.9 |
| 10 (C) | 144.5 |
| 11 (CH) | 46.1 |
| 12 (C) | 175.9 |
| 13 (CH2) | 48.2 |
| 14 (CH2) | 114.4 |
| 15 (CH2) | 108.7 |
| 13a (CH) | 66.4 |
| 13b (CH) | 36.9 |
| 13c (CH2) | 24.9 |
| 13d (CH3) | 11.5 |
| 13aa (C) | 173.2 |
| 13ba (CH3) | 15.5 |
