Spektraris NMR
8α-Acetoxyarglabin
Common Name: 8α-Acetoxyarglabin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O5/c1-8-5-6-17-13(8)14-12(9(2)15(19)21-14)11(20-10(3)18)7-16(17,4)22-17/h5,11-14H,2,6-7H2,1,3-4H3/t11-,12+,13+,14-,16-,17+/m0/s1
InChIKey: InChIKey=CWDIWDKHXGYAMS-URCHBCGGSA-N
Formula: C17H20O5
Molecular Weight: 304.33835
Exact Mass: 304.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. J Nat Prod (2002) 65, 481-6
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 (C) | 71.8 |
| 2 (CH2) | 39 |
| 3 (CH) | 125.4 |
| 4 (C) | 140.2 |
| 5 (CH) | 51.6 |
| 6 (CH) | 79.3 |
| 7 (CH) | 53.4 |
| 8 (CH) | 69.8 |
| 9 (CH2) | 40 |
| 10 (C) | 60.3 |
| 11 (C) | 136.5 |
| 12 (C) | 169.8 |
| 13 (CH2) | 121.9 |
| 14 (CH3) | 22.4 |
| 15 (CH3) | 18.4 |
| 8a (C) | 169.6 |
| 8b (CH3) | 21.1 |
