Spektraris NMR
(3S)-3-Hydroxyatractylenolide III
Common Name: (3S)-3-Hydroxyatractylenolide III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-8-10-6-11-9(2)13(17)19-15(11,18)7-14(10,3)5-4-12(8)16/h10,12,16,18H,1,4-7H2,2-3H3/t10-,12-,14+,15-/m0/s1
InChIKey: InChIKey=VITHJONQLOCSGP-FATJJJSSSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 152-7
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) | 39.64 |
| 2 (CH2) | 32.73 |
| 3 (CH) | 72.48 |
| 4 (C) | 153.07 |
| 5 (CH) | 50.27 |
| 6 (CH2) | 25.03 |
| 7 (C) | 161.9 |
| 8 (C) | 104.64 |
| 9 (CH2) | 51.41 |
| 10 (C) | 37.03 |
| 11 (C) | 121.7 |
| 12 (C) | 8.23 |
| 13 (CH3) | 172.68 |
| 14 (CH3) | 17.28 |
| 15 (CH2) | 104.27 |
