Spektraris NMR
Achillin
Common Name: Achillin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1
InChIKey: InChIKey=BJPSSVHNEGMBDQ-OAACRXHESA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ohno, N., Gershenzon, J., Roane, C., Mabry, T.J. Phytochemistry (1980) 19, 103
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) | 131.8 |
| 2 (C) | 195.9 |
| 3 (CH) | 135.5 |
| 4 (C) | 170.3 |
| 5 (CH) | 52.9 |
| 6 (CH) | 83.6 |
| 7 (CH) | 51.8 |
| 8 (CH2) | 23.5 |
| 9 (CH2) | 37.6 |
| 10 (C) | 152.4 |
| 11 (CH) | 39.3 |
| 12 (C) | 179.6 |
| 13 (CH3) | 10.6 |
| 14 (CH3) | 21.5 |
| 15 (CH3) | 19.8 |
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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.