Spektraris NMR
Arglabin
Common Name: Arglabin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1
InChIKey: InChIKey=UVJYAKBJSGRTHA-CUZKYEQNSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
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) | 72.6 |
| 2 (CH2) | 39.6 |
| 3 (CH) | 124.9 |
| 4 (C) | 140.4 |
| 5 (CH) | 52.7 |
| 6 (CH) | 82.9 |
| 7 (CH) | 50.9 |
| 8 (CH2) | 21.4 |
| 9 (CH2) | 33.4 |
| 10 (C) | 62.8 |
| 11 (C) | 139 |
| 12 (C) | 170.6 |
| 13 (CH2) | 118.4 |
| 14 (CH3) | 22.7 |
| 15 (CH3) | 18.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.