Spektraris NMR
Polyalthidin
Common Name: Polyalthidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h6,9-10,14-15,17H,7-8,11-13H2,1-5H3,(H,24,25)/b10-6-,16-9+/t17?,23-/m1/s1
InChIKey: InChIKey=OJGFGARWDJAVNO-PKBSCCEMSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - ZafraPolo, M.C., Gonzalez, M.C., Tormo, J.R., Estornell, E., Cortes, D. J Nat Prod (1996) 59, 913-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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 (CH2) | 22.61 |
| 2 (CH2) | 31.34 |
| 3 (C) | 75.23 |
| 4 (CH2) | 39.54 |
| 5 (CH2) | 22.2 |
| 6 (CH) | 125.33 |
| 7 (C) | 133.57 |
| 8 (CH2) | 42.59 |
| 9 (CH) | 129.53 |
| 10 (CH) | 130.68 |
| 11 (CH) | 42.63 |
| 12 (CH3) | 17.22 |
| 13 (C) | 180.51 |
| 14 (CH3) | 15.86 |
| 15 (CH3) | 23.99 |
| 1' (C) | 145.97 |
| 2' (C) | 120.83 |
| 3' (CH) | 110.94 |
| 4' (C) | 152.05 |
| 5' (CH) | 114.7 |
| 6' (C) | 127.18 |
| 4'a (CH3) | 55.59 |
| 6'a (CH3) | 16.21 |
