Spektraris NMR
Atractylenolide III 8,9-OH
Common Name: Atractylenolide III 8,9-OH
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-8-5-4-6-14(3)10(8)7-11-9(2)12(16)19-15(11,18)13(14)17/h10,13,17-18H,1,4-7H2,2-3H3/t10-,13-,14-,15+/m0/s1
InChIKey: InChIKey=AODJPEDJOAFDMW-FBUXBERBSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Park, H.S., Ohama, T. Biosci Biotechnol Biochem (2009) 73, 2803-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 34.8 |
| 2 (CH2) | 22.3 |
| 3 (CH2) | 36.3 |
| 4 (C) | 149.3 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 24.7 |
| 7 (C) | 159.1 |
| 8 (C) | 104.9 |
| 9 (CH) | 78.8 |
| 10 (C) | 40.8 |
| 11 (C) | 124.2 |
| 12 (C) | 173 |
| 13 (CH3) | 8.5 |
| 14 (CH3) | 16.3 |
| 15 (CH2) | 107.3 |
