Spektraris NMR
Isofregenedadiol
Common Name: Isofregenedadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13(10-11-21)6-7-16-12-18-17(15(3)14(16)2)8-9-19(22)20(18,4)5/h12-13,19,21-22H,6-11H2,1-5H3/t13-,19-/m0/s1
InChIKey: InChIKey=PQDATHUEVFNPAK-DJJJIMSYSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Jorge, A., Diez, D., Basabe, P., Lithgow, A.M., Sexmero, M.J., Garrido, N.M., Urones, J.G. Phytochemistry (1996) 41, 1155-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 25.4 |
| 2 (CH2) | 27 |
| 3 (CH) | 75.3 |
| 4 (C) | 39.1 |
| 5 (C) | 141.6 |
| 6 (CH) | 125.2 |
| 7 (C) | 138.8 |
| 8 (C) | 131.8 |
| 9 (C) | 134.7 |
| 10 (C) | 130.6 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 38.6 |
| 13 (CH) | 30 |
| 14 (CH2) | 39.9 |
| 15 (CH2) | 61.2 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 15.2 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 25.3 |
| 20 (CH3) | 15.7 |
