Spektraris NMR
7alpha-Hydroxyfrullanolide
Common Name: 7alpha-Hydroxyfrullanolide
Synonyms: 7alpha-Hydroxyfrullanolide
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)7-8-15(17)10(2)13(16)18-12(15)11(9)14/h12,17H,2,4-8H2,1,3H3/t12-,14+,15+/m0/s1
InChIKey: InChIKey=XMPDAVDYIOMTLX-NWANDNLSSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sohoni, J.S., Rojatkar, S.R., Kulkarni, M.M., Dhanerhwar, N.N., Tavale, S.S., Gururow, T.N., Nagasampagi, B.A. J Chem Soc, Perkin Trans 1 (1988) 0, 157
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) | 32.9 |
| 2 (CH2) | 31.8 |
| 3 (CH2) | 39 |
| 4 (C) | 145.2 |
| 5 (C) | 140.5 |
| 6 (CH) | 81.7 |
| 7 (C) | 76.1 |
| 8 (CH2) | 35.1 |
| 9 (CH2) | 26.3 |
| 10 (C) | 33.3 |
| 11 (C) | 127.3 |
| 12 (C) | 169.7 |
| 13 (CH2) | 121.3 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 19.5 |
