Spektraris NMR
11a,13-Dihydroalantolactone
Common Name: 11a,13-Dihydroalantolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11+,13+,15+/m0/s1
InChIKey: InChIKey=UHXFRFWUSTUALX-CTFUPSTPSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Yabuuchi, T., Kusumi, T., Tori, M., Takaoka, S., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2001) 64, 466-71
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) | 42.4 |
| 2 (CH2) | 17 |
| 3 (CH2) | 33.1 |
| 4 (CH) | 38.7 |
| 5 (C) | 150.8 |
| 6 (CH) | 115.7 |
| 7 (CH) | 38.9 |
| 8 (CH) | 77.1 |
| 9 (CH2) | 43.1 |
| 10 (C) | 33.2 |
| 11 (CH) | 40.5 |
| 12 (C) | 179.2 |
| 13 (CH3) | 10.8 |
| 14 (CH3) | 23.1 |
| 15 (CH3) | 28.8 |
